4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C18H26N2O2 — CID 49057286

IUPAC4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC2CC2CCCCC2)cc1=O
InChIInChI=1S/C18H26N2O2/c1-19-11-9-15(13-17(19)21)18(22)20-10-5-8-16(20)12-14-6-3-2-4-7-14/h9,11,13-14,16H,2-8,10,12H2,1H3
InChIKeyBKDRZBZDKAJSMK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.96
Rot. Bonds3

About 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 49057286) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID49057286
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC2CC2CCCCC2)cc1=O
InChIInChI=1S/C18H26N2O2/c1-19-11-9-15(13-17(19)21)18(22)20-10-5-8-16(20)12-14-6-3-2-4-7-14/h9,11,13-14,16H,2-8,10,12H2,1H3
InChIKeyBKDRZBZDKAJSMK-UHFFFAOYSA-N
XLogP2.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-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-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 49057286) is 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCC2CC2CCCCC2)cc1=O.
What is the InChIKey of 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is BKDRZBZDKAJSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-11-9-15(13-17(19)21)18(22)20-10-5-8-16(20)12-14-6-3-2-4-7-14/h9,11,13-14,16H,2-8,10,12H2,1H3.
What are the key properties of 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 49057286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).