1-(5-hydroxypentyl)pyrrolidin-2-one

C9H17NO2 — CID 62228622

IUPAC1-(5-hydroxypentyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCO
InChIInChI=1S/C9H17NO2/c11-8-3-1-2-6-10-7-4-5-9(10)12/h11H,1-8H2
InChIKeyXTBWGPZBRPCECM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds5

About 1-(5-hydroxypentyl)pyrrolidin-2-one

1-(5-hydroxypentyl)pyrrolidin-2-one (PubChem CID 62228622) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)pyrrolidin-2-one
PubChem CID62228622
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(5-hydroxypentyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCO
InChIInChI=1S/C9H17NO2/c11-8-3-1-2-6-10-7-4-5-9(10)12/h11H,1-8H2
InChIKeyXTBWGPZBRPCECM-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-hydroxypentyl)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 1-(5-hydroxypentyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-hydroxypentyl)pyrrolidin-2-one (CID 62228622) is 1-(5-hydroxypentyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-hydroxypentyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-hydroxypentyl)pyrrolidin-2-one is O=C1CCCN1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)pyrrolidin-2-one?
The InChIKey is XTBWGPZBRPCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-8-3-1-2-6-10-7-4-5-9(10)12/h11H,1-8H2.
What are the key properties of 1-(5-hydroxypentyl)pyrrolidin-2-one?
1-(5-hydroxypentyl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)pyrrolidin-2-one is sourced from PubChem (CID 62228622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).