(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide

C15H14N2O2 — CID 89331992

IUPAC(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide
SMILESC#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H14N2O2/c1-3-4-5-14(18)13(10-16)15(19)17-12-8-6-11(2)7-9-12/h1,6-9,18H,4-5H2,2H3,(H,17,19)/b14-13-
InChIKeyVMLFYNLTEUHEED-YPKPFQOOSA-N
MW254.29 g/mol
LogP2.68
Rot. Bonds4

About (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide

(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide (PubChem CID 89331992) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide
PubChem CID89331992
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide
SMILESC#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H14N2O2/c1-3-4-5-14(18)13(10-16)15(19)17-12-8-6-11(2)7-9-12/h1,6-9,18H,4-5H2,2H3,(H,17,19)/b14-13-
InChIKeyVMLFYNLTEUHEED-YPKPFQOOSA-N
XLogP2.68
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide 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

(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide;(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide;methane
CID 157449407
6-[4-[[(Z)-2-cyano-3-hydroxyhept-2-en-6-ynoyl]amino]phenoxy]hexanoic acid
CID 58918775
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
6-[4-[(2-cyano-3-hydroxyhept-2-en-6-ynoyl)amino]phenoxy]-2-ethylhexanoic acid
CID 173170652
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[(Z)-2-cyano-3-hydroxyhept-2-en-6-ynoyl]amino]phenyl]butanoate
CID 58932113
(E)-2-cyano-N-(4-methylphenyl)-3-methylsulfanyl-3-sulfanylprop-2-enamide
CID 11522065
(Z)-2-cyano-3-hydroxy-5-methoxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
CID 67840614
(Z)-N-[3-(6-amino-6-oxohexoxy)-4-(trifluoromethyl)phenyl]-2-cyano-3-hydroxyhept-2-en-6-ynamide
CID 143506265
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
(E)-6-cyano-5-hydroxy-7-oxo-7-[4-(trifluoromethyl)anilino]hept-5-enoic acid
CID 69449324
N-(4-tert-butylphenyl)-2-cyano-3-hydroxybut-2-enamide
CID 67933363
(E)-2-cyano-3-ethoxy-3-hydroxy-N-(4-methoxyphenyl)prop-2-enamide
CID 6022139

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide?
The IUPAC name of (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide (CID 89331992) is (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide.
What is the SMILES notation for (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide?
The canonical SMILES for (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide is C#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide?
The InChIKey is VMLFYNLTEUHEED-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-4-5-14(18)13(10-16)15(19)17-12-8-6-11(2)7-9-12/h1,6-9,18H,4-5H2,2H3,(H,17,19)/b14-13-.
What are the key properties of (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide?
(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide has a molecular weight of 254.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide is sourced from PubChem (CID 89331992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).