(3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one

C19H20N2O — CID 7243074

IUPAC(3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one
SMILESO=C1C/C(=N\CCc2ccccn2)C[C@H](c2ccccc2)C1
InChIInChI=1S/C19H20N2O/c22-19-13-16(15-6-2-1-3-7-15)12-18(14-19)21-11-9-17-8-4-5-10-20-17/h1-8,10,16H,9,11-14H2/b21-18-/t16-/m0/s1
InChIKeyBZHSJCJKEGWOSS-XMMQZVGTSA-N
MW292.38 g/mol
LogP3.60
Rot. Bonds4

About (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one

(3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one (PubChem CID 7243074) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one.

Molecular Properties

Compound Name(3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one
PubChem CID7243074
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one
SMILESO=C1C/C(=N\CCc2ccccn2)C[C@H](c2ccccc2)C1
InChIInChI=1S/C19H20N2O/c22-19-13-16(15-6-2-1-3-7-15)12-18(14-19)21-11-9-17-8-4-5-10-20-17/h1-8,10,16H,9,11-14H2/b21-18-/t16-/m0/s1
InChIKeyBZHSJCJKEGWOSS-XMMQZVGTSA-N
XLogP3.60
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[2-(dimethylamino)ethylimino]-5-phenylcyclohexan-1-one
CID 7305505
5-phenyl-2-(2-pyridin-2-ylethyliminomethyl)cyclohexane-1,3-dione
CID 7313044
3-phenyl-5-(2-piperidin-1-ylethylimino)cyclohexan-1-one
CID 123944049
(5R)-3-cyclohexylimino-5-phenylcyclohexan-1-one
CID 7065476
(5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenylcyclohexan-1-one
CID 6935787
1-N,2-N-bis(2-pyridin-2-ylethyl)cyclohexa-3,5-diene-1,2-diimine
CID 139182392
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
(3R)-3-(3,4-dimethoxyphenyl)-5-[2-(1H-imidazol-5-yl)ethylimino]cyclohexan-1-one
CID 7342683
3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 43632173
(8S)-8-phenylcyclodecane-1,3,6-trione
CID 125480091
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one?
The IUPAC name of (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one (CID 7243074) is (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one.
What is the SMILES notation for (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one?
The canonical SMILES for (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one is O=C1C/C(=N\CCc2ccccn2)C[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one?
The InChIKey is BZHSJCJKEGWOSS-XMMQZVGTSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-13-16(15-6-2-1-3-7-15)12-18(14-19)21-11-9-17-8-4-5-10-20-17/h1-8,10,16H,9,11-14H2/b21-18-/t16-/m0/s1.
What are the key properties of (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one?
(3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one has a molecular weight of 292.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-5-(2-pyridin-2-ylethylimino)cyclohexan-1-one is sourced from PubChem (CID 7243074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).