1-butylpyrrolidin-3-one

C8H15NO — CID 23052762

IUPAC1-butylpyrrolidin-3-one
SMILESCCCCN1CCC(=O)C1
InChIInChI=1S/C8H15NO/c1-2-3-5-9-6-4-8(10)7-9/h2-7H2,1H3
InChIKeyKWFATJMDSMSKPA-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds3

About 1-butylpyrrolidin-3-one

1-butylpyrrolidin-3-one (PubChem CID 23052762) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-butylpyrrolidin-3-one.

Molecular Properties

Compound Name1-butylpyrrolidin-3-one
PubChem CID23052762
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-butylpyrrolidin-3-one
SMILESCCCCN1CCC(=O)C1
InChIInChI=1S/C8H15NO/c1-2-3-5-9-6-4-8(10)7-9/h2-7H2,1H3
InChIKeyKWFATJMDSMSKPA-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butylpyrrolidin-3-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-butylpyrrolidin-3-one?
The IUPAC name of 1-butylpyrrolidin-3-one (CID 23052762) is 1-butylpyrrolidin-3-one.
What is the SMILES notation for 1-butylpyrrolidin-3-one?
The canonical SMILES for 1-butylpyrrolidin-3-one is CCCCN1CCC(=O)C1.
What is the InChIKey of 1-butylpyrrolidin-3-one?
The InChIKey is KWFATJMDSMSKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-5-9-6-4-8(10)7-9/h2-7H2,1H3.
What are the key properties of 1-butylpyrrolidin-3-one?
1-butylpyrrolidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidin-3-one is sourced from PubChem (CID 23052762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).