(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide

C16H12N2O — CID 124561936

IUPAC(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide
SMILESN#Cc1cccc(/C(=C\c2ccccc2)C(N)=O)c1
InChIInChI=1S/C16H12N2O/c17-11-13-7-4-8-14(9-13)15(16(18)19)10-12-5-2-1-3-6-12/h1-10H,(H2,18,19)/b15-10+
InChIKeyIEKNNMPKDQYMQA-XNTDXEJSSA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds3

About (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide

(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide (PubChem CID 124561936) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide
PubChem CID124561936
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide
SMILESN#Cc1cccc(/C(=C\c2ccccc2)C(N)=O)c1
InChIInChI=1S/C16H12N2O/c17-11-13-7-4-8-14(9-13)15(16(18)19)10-12-5-2-1-3-6-12/h1-10H,(H2,18,19)/b15-10+
InChIKeyIEKNNMPKDQYMQA-XNTDXEJSSA-N
XLogP2.58
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-diphenylprop-2-enamide
CID 6016357
2-ethylhexyl (Z)-2-(3-cyanophenyl)-3-phenylprop-2-enoate
CID 140966918
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-cyanobenzoic acid;silver
CID 88821173
3-[(Z)-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 54607419
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197
3-cyanobenzenecarbothioamide
CID 23279245
3-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
CID 12540170
3-[(E)-3-[4-[(E)-3-(3-cyanophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]benzonitrile
CID 56795978
3-(3-aminopropanoyl)benzonitrile
CID 117277123
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
3-(2-cyanoacetyl)benzonitrile
CID 23423882

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide (CID 124561936) is (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide is N#Cc1cccc(/C(=C\c2ccccc2)C(N)=O)c1.
What is the InChIKey of (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide?
The InChIKey is IEKNNMPKDQYMQA-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H12N2O/c17-11-13-7-4-8-14(9-13)15(16(18)19)10-12-5-2-1-3-6-12/h1-10H,(H2,18,19)/b15-10+.
What are the key properties of (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide?
(E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide has a molecular weight of 248.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-cyanophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 124561936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).