3-(1-hydroxyethyl)pyrrolidin-2-one

C6H11NO2 — CID 559138

IUPAC3-(1-hydroxyethyl)pyrrolidin-2-one
SMILESCC(O)C1CCNC1=O
InChIInChI=1S/C6H11NO2/c1-4(8)5-2-3-7-6(5)9/h4-5,8H,2-3H2,1H3,(H,7,9)
InChIKeyJLJWVCDIFSQJSD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About 3-(1-hydroxyethyl)pyrrolidin-2-one

3-(1-hydroxyethyl)pyrrolidin-2-one (PubChem CID 559138) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)pyrrolidin-2-one
PubChem CID559138
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(1-hydroxyethyl)pyrrolidin-2-one
SMILESCC(O)C1CCNC1=O
InChIInChI=1S/C6H11NO2/c1-4(8)5-2-3-7-6(5)9/h4-5,8H,2-3H2,1H3,(H,7,9)
InChIKeyJLJWVCDIFSQJSD-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-hydroxyethyl)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-(1-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)pyrrolidin-2-one (CID 559138) is 3-(1-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)pyrrolidin-2-one is CC(O)C1CCNC1=O.
What is the InChIKey of 3-(1-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is JLJWVCDIFSQJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(8)5-2-3-7-6(5)9/h4-5,8H,2-3H2,1H3,(H,7,9).
What are the key properties of 3-(1-hydroxyethyl)pyrrolidin-2-one?
3-(1-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 559138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).