4-propanoyl-1-propan-2-ylpyrrolidin-2-one

C10H17NO2 — CID 72945283

IUPAC4-propanoyl-1-propan-2-ylpyrrolidin-2-one
SMILESCCC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C10H17NO2/c1-4-9(12)8-5-10(13)11(6-8)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyPZHKSDJHSSUUMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds3

About 4-propanoyl-1-propan-2-ylpyrrolidin-2-one

4-propanoyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 72945283) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-propanoyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-propanoyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID72945283
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-propanoyl-1-propan-2-ylpyrrolidin-2-one
SMILESCCC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C10H17NO2/c1-4-9(12)8-5-10(13)11(6-8)7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyPZHKSDJHSSUUMB-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propanoyl-1-propan-2-ylpyrrolidin-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 4-propanoyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-propanoyl-1-propan-2-ylpyrrolidin-2-one (CID 72945283) is 4-propanoyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-propanoyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-propanoyl-1-propan-2-ylpyrrolidin-2-one is CCC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of 4-propanoyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PZHKSDJHSSUUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-9(12)8-5-10(13)11(6-8)7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-propanoyl-1-propan-2-ylpyrrolidin-2-one?
4-propanoyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 72945283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).