(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one

C20H22N2O — CID 16626234

IUPAC(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C20H22N2O/c23-20(15-14-17-9-3-1-4-10-17)22-16-8-7-13-19(22)21-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2/b15-14+,21-19+
InChIKeyVUKNXSLYBSODLD-KPPKKHFCSA-N
MW306.41 g/mol
LogP4.08
Rot. Bonds3

About (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one

(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one (PubChem CID 16626234) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
PubChem CID16626234
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)n1cccc/c1=N\C1CCCCC1
InChIInChI=1S/C20H22N2O/c23-20(15-14-17-9-3-1-4-10-17)22-16-8-7-13-19(22)21-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2/b15-14+,21-19+
InChIKeyVUKNXSLYBSODLD-KPPKKHFCSA-N
XLogP4.08
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-(2-cyclohexylimino-1-pyridinyl)-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 16605071
1-(2-cyclohexylimino-1-pyridinyl)-2-(2-fluorophenyl)ethanone
CID 16626258
2-(2-chlorophenyl)-1-(2-cyclohexylimino-1-pyridinyl)ethanone
CID 16626276
2-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 51321233
[N-cyclohexyl-C-[(E)-2-phenylethenyl]carbonimidoyl]urea
CID 13209275
(2-cyclohexylimino-1-pyridinyl)-(2,4-difluorophenyl)methanone
CID 16626252
(2-cyclohexylimino-1-pyridinyl)-(5-ethylfuran-2-yl)methanone
CID 46404203
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
1-cyclohexyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]urea
CID 67489628
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 55533497
(1-chloroisoquinolin-3-yl)-(2-cyclohexylimino-1-pyridinyl)methanone
CID 55668391
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 5371862

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one (CID 16626234) is (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)n1cccc/c1=N\C1CCCCC1.
What is the InChIKey of (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one?
The InChIKey is VUKNXSLYBSODLD-KPPKKHFCSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(15-14-17-9-3-1-4-10-17)22-16-8-7-13-19(22)21-18-11-5-2-6-12-18/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2/b15-14+,21-19+.
What are the key properties of (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one?
(E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one has a molecular weight of 306.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-cyclohexylimino-1-pyridinyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 16626234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).