(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide

C17H15NO2 — CID 6267512

IUPAC(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide
SMILESCC1=CC(=NC(=O)/C=C/c2ccccc2)C=C(C)C1=O
InChIInChI=1S/C17H15NO2/c1-12-10-15(11-13(2)17(12)20)18-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
InChIKeyRZJZSWUMMLFVNS-CMDGGOBGSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds2

About (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide

(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide (PubChem CID 6267512) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide
PubChem CID6267512
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide
SMILESCC1=CC(=NC(=O)/C=C/c2ccccc2)C=C(C)C1=O
InChIInChI=1S/C17H15NO2/c1-12-10-15(11-13(2)17(12)20)18-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
InChIKeyRZJZSWUMMLFVNS-CMDGGOBGSA-N
XLogP3.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide 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

N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzamide
CID 5089876
[(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] (Z)-3-phenylprop-2-enoate
CID 2304811
[1-(3-methyl-2,5-dioxocyclopent-3-en-1-ylidene)-3-phenylprop-2-enyl] acetate
CID 72993634
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7944210
(E)-3-phenyl-N-(triphenyl-λ5-phosphanylidene)prop-2-enamide
CID 134920511
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
lithium 3-phenylprop-2-enoate
CID 67041801
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(E)-N-[amino(dimethylamino)methylidene]-3-phenylprop-2-enamide
CID 58870295

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide (CID 6267512) is (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide is CC1=CC(=NC(=O)/C=C/c2ccccc2)C=C(C)C1=O.
What is the InChIKey of (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide?
The InChIKey is RZJZSWUMMLFVNS-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-10-15(11-13(2)17(12)20)18-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+.
What are the key properties of (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide?
(E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylprop-2-enamide is sourced from PubChem (CID 6267512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).