(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide

C13H12N2O — CID 6069826

IUPAC(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(=C/c1ccccc1)/C=C(\C#N)C(N)=O
InChIInChI=1S/C13H12N2O/c1-10(8-12(9-14)13(15)16)7-11-5-3-2-4-6-11/h2-8H,1H3,(H2,15,16)/b10-7-,12-8+
InChIKeyOWRPWVGVNQKDTI-MITUOZDPSA-N
MW212.25 g/mol
LogP2.03
Rot. Bonds3

About (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide

(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide (PubChem CID 6069826) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
PubChem CID6069826
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
SMILESCC(=C/c1ccccc1)/C=C(\C#N)C(N)=O
InChIInChI=1S/C13H12N2O/c1-10(8-12(9-14)13(15)16)7-11-5-3-2-4-6-11/h2-8H,1H3,(H2,15,16)/b10-7-,12-8+
InChIKeyOWRPWVGVNQKDTI-MITUOZDPSA-N
XLogP2.03
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-4-methyl-5-phenylpenta-2,4-dienoic acid
CID 78648562
(2E,4E)-2-(2-methoxybenzoyl)-4-methyl-5-phenylpenta-2,4-dienenitrile
CID 9336325
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
2-cyano-4-phenylpent-2-enamide
CID 3282081
(Z)-2-cyano-3-phenylprop-2-enethioamide
CID 1487476
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298
2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2732895
2-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyethyl (E)-2-cyano-3-phenylprop-2-enoate
CID 2426764
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-phenylprop-2-enenitrile
CID 2435962
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide (CID 6069826) is (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide is CC(=C/c1ccccc1)/C=C(\C#N)C(N)=O.
What is the InChIKey of (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide?
The InChIKey is OWRPWVGVNQKDTI-MITUOZDPSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10(8-12(9-14)13(15)16)7-11-5-3-2-4-6-11/h2-8H,1H3,(H2,15,16)/b10-7-,12-8+.
What are the key properties of (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide?
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide has a molecular weight of 212.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 6069826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).