1-butyl-5-methylpyrrolidin-2-one

C9H17NO — CID 15656175

IUPAC1-butyl-5-methylpyrrolidin-2-one
SMILESCCCCN1C(=O)CCC1C
InChIInChI=1S/C9H17NO/c1-3-4-7-10-8(2)5-6-9(10)11/h8H,3-7H2,1-2H3
InChIKeyOEHBRLBRARCKMA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.80
Rot. Bonds3

About 1-butyl-5-methylpyrrolidin-2-one

1-butyl-5-methylpyrrolidin-2-one (PubChem CID 15656175) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-butyl-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-5-methylpyrrolidin-2-one
PubChem CID15656175
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-butyl-5-methylpyrrolidin-2-one
SMILESCCCCN1C(=O)CCC1C
InChIInChI=1S/C9H17NO/c1-3-4-7-10-8(2)5-6-9(10)11/h8H,3-7H2,1-2H3
InChIKeyOEHBRLBRARCKMA-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-5-methylpyrrolidin-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-butyl-5-methylpyrrolidin-2-one?
The IUPAC name of 1-butyl-5-methylpyrrolidin-2-one (CID 15656175) is 1-butyl-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-butyl-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-butyl-5-methylpyrrolidin-2-one is CCCCN1C(=O)CCC1C.
What is the InChIKey of 1-butyl-5-methylpyrrolidin-2-one?
The InChIKey is OEHBRLBRARCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-7-10-8(2)5-6-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 1-butyl-5-methylpyrrolidin-2-one?
1-butyl-5-methylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methylpyrrolidin-2-one is sourced from PubChem (CID 15656175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).