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

C10H8N2O — CID 725466

IUPAC(E)-2-cyano-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(N)=O
InChIInChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6+
InChIKeySKGACPGKMWWAIG-RMKNXTFCSA-N
MW172.19 g/mol
LogP1.08
Rot. Bonds2

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

(E)-2-cyano-3-phenylprop-2-enamide (PubChem CID 725466) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is (E)-2-cyano-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenylprop-2-enamide
PubChem CID725466
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name(E)-2-cyano-3-phenylprop-2-enamide
SMILESN#C/C(=C\c1ccccc1)C(N)=O
InChIInChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6+
InChIKeySKGACPGKMWWAIG-RMKNXTFCSA-N
XLogP1.08
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.08
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

trans-Cinnamamide
CID 5273472
CG-1521
CID 10220017
2-Propenamide, 3-phenyl-
CID 12135
Cinnamoylhydroxamic acid
CID 5355635
1,2-Dihydro-6-methyl-2-oxo-5-phenyl-3-pyridinecarbonitrile
CID 20231
2-Hydroxy-5-phenyl-nicotinonitrile
CID 297061
(2E)-3-(4-Chlorophenyl)-2-cyano-2-propenamide
CID 2063965
Cinnamamide, alpha-cyano-3-fluoro-
CID 931990
U-77863
CID 6438793
3-(4-Fluorophenyl)-2-propenamide
CID 923602
2-Cyano-3-(4-fluoro-phenyl)-acrylamide
CID 931992
(2E)-3-(4-cyanophenyl)-N-hydroxyprop-2-enamide
CID 11715310

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-phenylprop-2-enamide (CID 725466) is (E)-2-cyano-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-phenylprop-2-enamide is N#C/C(=C\c1ccccc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-phenylprop-2-enamide?
The InChIKey is SKGACPGKMWWAIG-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6+.
What are the key properties of (E)-2-cyano-3-phenylprop-2-enamide?
(E)-2-cyano-3-phenylprop-2-enamide has a molecular weight of 172.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenylprop-2-enamide is sourced from PubChem (CID 725466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).