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(R)-3-Methoxypyrrolidine

An ether, C5H11NO, 101.149 g/mol. Appears in 1 documented reaction.

verified record, Organic — ether, 1 documented reactions

Identifiers

Molecular formula
C₅H₁₁NO
Molecular weight
101.149 g/mol
Exact mass
101.084064 g/mol
IUPAC name
(3R)-3-methoxypyrrolidine
SMILES
COC1CCNC1
Isomeric SMILES
CO[C@@H]1CCNC1
InChI
InChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKey
BWRWNUQAQPAYCK-RXMQYKEDSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
101.15 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
101.084063974 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
-0.2calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
21.3 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
56calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
1calculated · reference compound database
H-bond acceptors
2calculated · reference compound database
logP
-0.0053calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
21.26 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
1calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
2calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
1calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
28.2837 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
1calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.5015calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
7
Total atoms, hydrogen included
18
Rings
1
Aromatic rings
0
Stereocentres
1
Formal charge
0

Functional groups

  • Ether

    An oxygen bridging two carbons.

  • Secondary amine

    Nitrogen bonded to two carbons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

1 documented reaction involves (R)-3-Methoxypyrrolidine, each with a written procedure and a source, and all of them are buchwald–hartwig amination. A few are shown.

Buchwald–Hartwig amination

Buchwald–Hartwig amination · as a reactant

A recorded experiment with its conditions, its yield where one was published, and a link to the source.

All 1 buchwald–hartwig amination records

Other names for it

The systematic name on this record is (3R)-3-methoxypyrrolidine.

The sources also call it (3R)-3-methoxypyrrolidine, (R)-3-Methoxy-pyrrolidine, PYRROLIDINE, 3-METHOXY-, (3R)-, MFCD09953439, R-3MEHP, Fampridine Impurity 44, (R);-3-Methoxypyrrolidine, SCHEMBL492237, SCHEMBL492262, SCHEMBL4493098, SCHEMBL13088406.

Structurally related

Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.

(Tetrahydrofuran-3-yl)methanamine

C5H11NO

(3-Methyloxetan-3-yl)methanamine

C5H11NO

1,4-Oxazepane

C5H11NO

Where these values came from

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

Where to next

Molar mass calculator

Work with C5H11NO in a calculation, with every element's contribution shown.

Molarity calculator

Grams of (R)-3-Methoxypyrrolidine for a volume and a concentration, or the concentration a mass gives.

Open in ReactionLens

The full record in the workstation: every atom, every bond, and the reactions it appears in.