1-propylpyrrolidin-2-one

C7H13NO — CID 566544

IUPAC1-propylpyrrolidin-2-one
SMILESCCCN1CCCC1=O
InChIInChI=1S/C7H13NO/c1-2-5-8-6-3-4-7(8)9/h2-6H2,1H3
InChIKeyDCALJVULAGICIX-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds2

About 1-propylpyrrolidin-2-one

1-propylpyrrolidin-2-one (PubChem CID 566544) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-propylpyrrolidin-2-one
PubChem CID566544
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-propylpyrrolidin-2-one
SMILESCCCN1CCCC1=O
InChIInChI=1S/C7H13NO/c1-2-5-8-6-3-4-7(8)9/h2-6H2,1H3
InChIKeyDCALJVULAGICIX-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-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 1-propylpyrrolidin-2-one?
The IUPAC name of 1-propylpyrrolidin-2-one (CID 566544) is 1-propylpyrrolidin-2-one.
What is the SMILES notation for 1-propylpyrrolidin-2-one?
The canonical SMILES for 1-propylpyrrolidin-2-one is CCCN1CCCC1=O.
What is the InChIKey of 1-propylpyrrolidin-2-one?
The InChIKey is DCALJVULAGICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-5-8-6-3-4-7(8)9/h2-6H2,1H3.
What are the key properties of 1-propylpyrrolidin-2-one?
1-propylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrrolidin-2-one is sourced from PubChem (CID 566544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).