N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide

C11H16N2O — CID 13496257

IUPACN-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide
SMILESCC(=O)N(/C=C/C#N)C1CCCCC1
InChIInChI=1S/C11H16N2O/c1-10(14)13(9-5-8-12)11-6-3-2-4-7-11/h5,9,11H,2-4,6-7H2,1H3/b9-5+
InChIKeyIHVREPATLSVCQI-WEVVVXLNSA-N
MW192.26 g/mol
LogP2.20
Rot. Bonds2

About N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide

N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide (PubChem CID 13496257) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide
PubChem CID13496257
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide
SMILESCC(=O)N(/C=C/C#N)C1CCCCC1
InChIInChI=1S/C11H16N2O/c1-10(14)13(9-5-8-12)11-6-3-2-4-7-11/h5,9,11H,2-4,6-7H2,1H3/b9-5+
InChIKeyIHVREPATLSVCQI-WEVVVXLNSA-N
XLogP2.20
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide?
The IUPAC name of N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide (CID 13496257) is N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide.
What is the SMILES notation for N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide?
The canonical SMILES for N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide is CC(=O)N(/C=C/C#N)C1CCCCC1.
What is the InChIKey of N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide?
The InChIKey is IHVREPATLSVCQI-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(14)13(9-5-8-12)11-6-3-2-4-7-11/h5,9,11H,2-4,6-7H2,1H3/b9-5+.
What are the key properties of N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide?
N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide has a molecular weight of 192.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyanoethenyl]-N-cyclohexylacetamide is sourced from PubChem (CID 13496257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).