2-(2-cyanoethenyl)benzamide

C10H8N2O — CID 131884772

IUPAC2-(2-cyanoethenyl)benzamide
SMILESN#CC=Cc1ccccc1C(N)=O
InChIInChI=1S/C10H8N2O/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6H,(H2,12,13)
InChIKeyNWRAMECQJDORFM-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.32
Rot. Bonds2

About 2-(2-cyanoethenyl)benzamide

2-(2-cyanoethenyl)benzamide (PubChem CID 131884772) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(2-cyanoethenyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanoethenyl)benzamide
PubChem CID131884772
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-(2-cyanoethenyl)benzamide
SMILESN#CC=Cc1ccccc1C(N)=O
InChIInChI=1S/C10H8N2O/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6H,(H2,12,13)
InChIKeyNWRAMECQJDORFM-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-cyanoethenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 69287667
3-(3-acetyl-2-fluorophenyl)prop-2-enenitrile
CID 169483703
2-(2,2-dibromoethenyl)benzamide
CID 10470333
4-(2-cyanoethenyl)-5-[2-(2-cyanoethenyl)phenyl]-7-phenylhepta-2,4,6-trienoic acid
CID 87282493
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
3-(2-iodophenyl)prop-2-enenitrile
CID 5013093
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
3-[2-(2-cyanoethenyl)phenyl]propanoic acid
CID 169483905
2-methanimidoylbenzamide
CID 123272130
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethenyl)benzamide?
The IUPAC name of 2-(2-cyanoethenyl)benzamide (CID 131884772) is 2-(2-cyanoethenyl)benzamide.
What is the SMILES notation for 2-(2-cyanoethenyl)benzamide?
The canonical SMILES for 2-(2-cyanoethenyl)benzamide is N#CC=Cc1ccccc1C(N)=O.
What is the InChIKey of 2-(2-cyanoethenyl)benzamide?
The InChIKey is NWRAMECQJDORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6H,(H2,12,13).
What are the key properties of 2-(2-cyanoethenyl)benzamide?
2-(2-cyanoethenyl)benzamide has a molecular weight of 172.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethenyl)benzamide is sourced from PubChem (CID 131884772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).