5-(hydroxymethyl)pyrrolidin-2-one

C5H9NO2 — CID 558359

IUPAC5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CCC(CO)N1
InChIInChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)
InChIKeyHOBJEFOCIRXQKH-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.74
Rot. Bonds1

About 5-(hydroxymethyl)pyrrolidin-2-one

5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 558359) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID558359
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CCC(CO)N1
InChIInChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)
InChIKeyHOBJEFOCIRXQKH-UHFFFAOYSA-N
XLogP-0.74
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 ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(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 5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)pyrrolidin-2-one (CID 558359) is 5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)pyrrolidin-2-one is O=C1CCC(CO)N1.
What is the InChIKey of 5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HOBJEFOCIRXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8).
What are the key properties of 5-(hydroxymethyl)pyrrolidin-2-one?
5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).