(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile

C15H16N2O — CID 142295560

IUPAC(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile
SMILESCC/C=C\C(=N/C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-3-4-10-14(17-2)15(18)13(11-16)12-8-6-5-7-9-12/h4-10,13H,3H2,1-2H3/b10-4-,17-14+
InChIKeySUDJMNHUCNYKQU-OHKIWNSHSA-N
MW240.31 g/mol
LogP2.90
Rot. Bonds5

About (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile

(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile (PubChem CID 142295560) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile.

Molecular Properties

Compound Name(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile
PubChem CID142295560
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile
SMILESCC/C=C\C(=N/C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H16N2O/c1-3-4-10-14(17-2)15(18)13(11-16)12-8-6-5-7-9-12/h4-10,13H,3H2,1-2H3/b10-4-,17-14+
InChIKeySUDJMNHUCNYKQU-OHKIWNSHSA-N
XLogP2.90
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1-diphenylhex-3-en-2-one
CID 67801120
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
(2R,3E,4E,5S)-3,4-bis(hydroxyimino)-2,5-diphenylhexanedinitrile
CID 136716145
5-fluoro-4,4-bis(fluoromethyl)-3-oxo-2-phenylpentanenitrile
CID 91417540
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
4-(dipentylamino)-3-oxo-2-phenylbutanenitrile
CID 19245457
(2S)-4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxo-2-phenylbutanenitrile
CID 2333275
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
(Z)-N-methyl-1-(4-phenylphenyl)pent-2-en-1-imine
CID 142417690

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile?
The IUPAC name of (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile (CID 142295560) is (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile.
What is the SMILES notation for (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile?
The canonical SMILES for (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile is CC/C=C\C(=N/C)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile?
The InChIKey is SUDJMNHUCNYKQU-OHKIWNSHSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-4-10-14(17-2)15(18)13(11-16)12-8-6-5-7-9-12/h4-10,13H,3H2,1-2H3/b10-4-,17-14+.
What are the key properties of (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile?
(Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile has a molecular weight of 240.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylimino-3-oxo-2-phenyloct-5-enenitrile is sourced from PubChem (CID 142295560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).