1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one

C13H17ClN2O — CID 15979680

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C13H17ClN2O/c1-2-3-10-6-13(17)16(8-10)9-11-4-5-12(14)15-7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyFZZUEERFYMTDBP-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.88
Rot. Bonds4

About 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one

1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one (PubChem CID 15979680) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one
PubChem CID15979680
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C13H17ClN2O/c1-2-3-10-6-13(17)16(8-10)9-11-4-5-12(14)15-7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyFZZUEERFYMTDBP-UHFFFAOYSA-N
XLogP2.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(6-chloro-3-pyridinyl)methyl]-4-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-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one (CID 15979680) is 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2ccc(Cl)nc2)C1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is FZZUEERFYMTDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-3-10-6-13(17)16(8-10)9-11-4-5-12(14)15-7-11/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one?
1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 252.74 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 15979680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).