5-propylpyrrolidin-2-one

C7H13NO — CID 12863079

IUPAC5-propylpyrrolidin-2-one
SMILESCCCC1CCC(=O)N1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyIRGZEUUQSUZQJA-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds2

About 5-propylpyrrolidin-2-one

5-propylpyrrolidin-2-one (PubChem CID 12863079) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-propylpyrrolidin-2-one.

Molecular Properties

Compound Name5-propylpyrrolidin-2-one
PubChem CID12863079
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-propylpyrrolidin-2-one
SMILESCCCC1CCC(=O)N1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyIRGZEUUQSUZQJA-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-propylpyrrolidin-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-propylpyrrolidin-2-one?
The IUPAC name of 5-propylpyrrolidin-2-one (CID 12863079) is 5-propylpyrrolidin-2-one.
What is the SMILES notation for 5-propylpyrrolidin-2-one?
The canonical SMILES for 5-propylpyrrolidin-2-one is CCCC1CCC(=O)N1.
What is the InChIKey of 5-propylpyrrolidin-2-one?
The InChIKey is IRGZEUUQSUZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6-4-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 5-propylpyrrolidin-2-one?
5-propylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylpyrrolidin-2-one is sourced from PubChem (CID 12863079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).