(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide

C14H15N3O — CID 99722458

IUPAC(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide
SMILESCN(C)/C(=C/C=C(\C#N)C(N)=O)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(2)13(11-6-4-3-5-7-11)9-8-12(10-15)14(16)18/h3-9H,1-2H3,(H2,16,18)/b12-8+,13-9+
InChIKeySQVPRZPJMZLJCJ-QHKWOANTSA-N
MW241.29 g/mol
LogP1.52
Rot. Bonds4

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

(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide (PubChem CID 99722458) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide
PubChem CID99722458
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide
SMILESCN(C)/C(=C/C=C(\C#N)C(N)=O)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17(2)13(11-6-4-3-5-7-11)9-8-12(10-15)14(16)18/h3-9H,1-2H3,(H2,16,18)/b12-8+,13-9+
InChIKeySQVPRZPJMZLJCJ-QHKWOANTSA-N
XLogP1.52
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-3-(dimethylamino)-3-phenylprop-2-enylidene]propanedinitrile
CID 99722803
(2Z,4E)-2-cyano-5-(dimethylamino)-5-(4-methylphenyl)penta-2,4-dienethioamide
CID 134867553
(2Z)-2-cyano-5,5-diphenylpenta-2,4-dienoic acid
CID 21107835
2-cyano-4-phenylpent-2-enamide
CID 3282081
ethyl 7-[(2-amino-2-oxoethyl)-methylamino]-2-cyano-5-phenylhepta-2,4,6-trienoate
CID 4692574
ethyl 5-cyano-2-(dimethylamino)-5-phenylpenta-2,4-dienoate
CID 54027283
(Z)-3-amino-2-benzoylprop-2-enenitrile
CID 163298750
2-cyano-5-(dimethylamino)-3-phenylpenta-2,4-dienamide
CID 617813
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
CID 6069826
(E)-2-cyanobut-2-enamide
CID 88621085
(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enamide
CID 6212905

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide (CID 99722458) is (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide is CN(C)/C(=C/C=C(\C#N)C(N)=O)c1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide?
The InChIKey is SQVPRZPJMZLJCJ-QHKWOANTSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(2)13(11-6-4-3-5-7-11)9-8-12(10-15)14(16)18/h3-9H,1-2H3,(H2,16,18)/b12-8+,13-9+.
What are the key properties of (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide?
(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide has a molecular weight of 241.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 99722458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).