1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C12H22N2O2 — CID 4575183

IUPAC1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NC(C)C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-4-5-6-14-8-10(7-11(14)15)12(16)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyTVULVAIAQMQJIH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds5

About 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 4575183) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID4575183
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NC(C)C)CC1=O
InChIInChI=1S/C12H22N2O2/c1-4-5-6-14-8-10(7-11(14)15)12(16)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyTVULVAIAQMQJIH-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide 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-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 4575183) is 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CCCCN1CC(C(=O)NC(C)C)CC1=O.
What is the InChIKey of 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is TVULVAIAQMQJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-6-14-8-10(7-11(14)15)12(16)13-9(2)3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 4575183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).