2-cyano-4-phenylpent-2-enamide

C12H12N2O — CID 3282081

IUPAC2-cyano-4-phenylpent-2-enamide
SMILESCC(C=C(C#N)C(N)=O)c1ccccc1
InChIInChI=1S/C12H12N2O/c1-9(7-11(8-13)12(14)15)10-5-3-2-4-6-10/h2-7,9H,1H3,(H2,14,15)
InChIKeyLMRNUWNMRIXOLJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.73
Rot. Bonds3

About 2-cyano-4-phenylpent-2-enamide

2-cyano-4-phenylpent-2-enamide (PubChem CID 3282081) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-cyano-4-phenylpent-2-enamide.

Molecular Properties

Compound Name2-cyano-4-phenylpent-2-enamide
PubChem CID3282081
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-cyano-4-phenylpent-2-enamide
SMILESCC(C=C(C#N)C(N)=O)c1ccccc1
InChIInChI=1S/C12H12N2O/c1-9(7-11(8-13)12(14)15)10-5-3-2-4-6-10/h2-7,9H,1H3,(H2,14,15)
InChIKeyLMRNUWNMRIXOLJ-UHFFFAOYSA-N
XLogP1.73
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.73
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'}

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Related Compounds

(Z)-2-cyano-4-phenylpent-2-enoic acid
CID 107293057
2-(dimethylamino)-4-phenylpent-2-enenitrile
CID 131855342
(2E,4Z)-2-cyano-4-methyl-5-phenylpenta-2,4-dienamide
CID 6069826
(E)-4-phenyl-2-(3-phenylpyrrolidine-1-carbonyl)pent-2-enenitrile
CID 154587140
(Z)-1,3-diphenylbut-1-en-1-amine
CID 142293651
dipropan-2-yl 2-(2-phenylpropylidene)propanedioate
CID 141417794
2-phenylpropylideneurea
CID 57051679
ethyl 2-ethyl-4-phenylpent-2-enoate
CID 123338226
(E)-2-cyanobut-2-enamide
CID 88621085
(Z)-N-benzhydryl-3-[bis(2-methylpropyl)amino]-2-cyanoprop-2-enamide
CID 108840497
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide
CID 99722458

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-phenylpent-2-enamide?
The IUPAC name of 2-cyano-4-phenylpent-2-enamide (CID 3282081) is 2-cyano-4-phenylpent-2-enamide.
What is the SMILES notation for 2-cyano-4-phenylpent-2-enamide?
The canonical SMILES for 2-cyano-4-phenylpent-2-enamide is CC(C=C(C#N)C(N)=O)c1ccccc1.
What is the InChIKey of 2-cyano-4-phenylpent-2-enamide?
The InChIKey is LMRNUWNMRIXOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9(7-11(8-13)12(14)15)10-5-3-2-4-6-10/h2-7,9H,1H3,(H2,14,15).
What are the key properties of 2-cyano-4-phenylpent-2-enamide?
2-cyano-4-phenylpent-2-enamide has a molecular weight of 200.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-phenylpent-2-enamide is sourced from PubChem (CID 3282081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).