3-(hydroxymethyl)pyrrolidin-2-one

C5H9NO2 — CID 12698981

IUPAC3-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CO
InChIInChI=1S/C5H9NO2/c7-3-4-1-2-6-5(4)8/h4,7H,1-3H2,(H,6,8)
InChIKeyPMVLHRHRTOBBHS-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.89
Rot. Bonds1

About 3-(hydroxymethyl)pyrrolidin-2-one

3-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 12698981) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrolidin-2-one
PubChem CID12698981
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CO
InChIInChI=1S/C5H9NO2/c7-3-4-1-2-6-5(4)8/h4,7H,1-3H2,(H,6,8)
InChIKeyPMVLHRHRTOBBHS-UHFFFAOYSA-N
XLogP-0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(hydroxymethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 3-(hydroxymethyl)pyrrolidin-2-one (CID 12698981) is 3-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)pyrrolidin-2-one is O=C1NCCC1CO.
What is the InChIKey of 3-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is PMVLHRHRTOBBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-4-1-2-6-5(4)8/h4,7H,1-3H2,(H,6,8).
What are the key properties of 3-(hydroxymethyl)pyrrolidin-2-one?
3-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 12698981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).