5-propan-2-ylpyrrolidin-2-one

C7H13NO — CID 13082302

IUPAC5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCC(=O)N1
InChIInChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyIASLVFGXHJQWAB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.92
Rot. Bonds1

About 5-propan-2-ylpyrrolidin-2-one

5-propan-2-ylpyrrolidin-2-one (PubChem CID 13082302) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-propan-2-ylpyrrolidin-2-one
PubChem CID13082302
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCC(=O)N1
InChIInChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyIASLVFGXHJQWAB-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-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 5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-propan-2-ylpyrrolidin-2-one (CID 13082302) is 5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-propan-2-ylpyrrolidin-2-one is CC(C)C1CCC(=O)N1.
What is the InChIKey of 5-propan-2-ylpyrrolidin-2-one?
The InChIKey is IASLVFGXHJQWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)6-3-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-propan-2-ylpyrrolidin-2-one?
5-propan-2-ylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 13082302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).