1-butylpyrrolidin-2-one

C8H15NO — CID 18984

IUPAC1-butylpyrrolidin-2-one
SMILESCCCCN1CCCC1=O
InChIInChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3
InChIKeyBNXZHVUCNYMNOS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds3

About 1-butylpyrrolidin-2-one

1-butylpyrrolidin-2-one (PubChem CID 18984) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butylpyrrolidin-2-one
PubChem CID18984
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-butylpyrrolidin-2-one
SMILESCCCCN1CCCC1=O
InChIInChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3
InChIKeyBNXZHVUCNYMNOS-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butylpyrrolidin-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

Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
N-Octylpyrrolidone
CID 3033871
N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CID 4629
Oxotremorine methiodide
CID 3027782
N-Ethylsuccinimide
CID 16842
1-Pentyl-2,5-pyrrolidinedione
CID 79245
1,5-Dimethylpyrrolidin-2-one
CID 101194
2-Pyrrolidinone, 1-(chloromethyl)-
CID 2770497
2-Pyrrolidinone, 1-acetyl-
CID 70266
N-Isopropylbutyrolactam
CID 77392
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
CID 199230

Frequently Asked Questions

What is the IUPAC name of 1-butylpyrrolidin-2-one?
The IUPAC name of 1-butylpyrrolidin-2-one (CID 18984) is 1-butylpyrrolidin-2-one.
What is the SMILES notation for 1-butylpyrrolidin-2-one?
The canonical SMILES for 1-butylpyrrolidin-2-one is CCCCN1CCCC1=O.
What is the InChIKey of 1-butylpyrrolidin-2-one?
The InChIKey is BNXZHVUCNYMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3.
What are the key properties of 1-butylpyrrolidin-2-one?
1-butylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyrrolidin-2-one is sourced from PubChem (CID 18984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).