2-cyano-2-cyclohexylidene-N-phenylacetamide

C15H16N2O — CID 702337

IUPAC2-cyano-2-cyclohexylidene-N-phenylacetamide
SMILESN#CC(C(=O)Nc1ccccc1)=C1CCCCC1
InChIInChI=1S/C15H16N2O/c16-11-14(12-7-3-1-4-8-12)15(18)17-13-9-5-2-6-10-13/h2,5-6,9-10H,1,3-4,7-8H2,(H,17,18)
InChIKeyNMTYYPKUZCOLFB-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.41
Rot. Bonds2

About 2-cyano-2-cyclohexylidene-N-phenylacetamide

2-cyano-2-cyclohexylidene-N-phenylacetamide (PubChem CID 702337) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-cyano-2-cyclohexylidene-N-phenylacetamide.

Molecular Properties

Compound Name2-cyano-2-cyclohexylidene-N-phenylacetamide
PubChem CID702337
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-cyano-2-cyclohexylidene-N-phenylacetamide
SMILESN#CC(C(=O)Nc1ccccc1)=C1CCCCC1
InChIInChI=1S/C15H16N2O/c16-11-14(12-7-3-1-4-8-12)15(18)17-13-9-5-2-6-10-13/h2,5-6,9-10H,1,3-4,7-8H2,(H,17,18)
InChIKeyNMTYYPKUZCOLFB-UHFFFAOYSA-N
XLogP3.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-cyclohexylidene-N-phenylacetamide?
The IUPAC name of 2-cyano-2-cyclohexylidene-N-phenylacetamide (CID 702337) is 2-cyano-2-cyclohexylidene-N-phenylacetamide.
What is the SMILES notation for 2-cyano-2-cyclohexylidene-N-phenylacetamide?
The canonical SMILES for 2-cyano-2-cyclohexylidene-N-phenylacetamide is N#CC(C(=O)Nc1ccccc1)=C1CCCCC1.
What is the InChIKey of 2-cyano-2-cyclohexylidene-N-phenylacetamide?
The InChIKey is NMTYYPKUZCOLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-11-14(12-7-3-1-4-8-12)15(18)17-13-9-5-2-6-10-13/h2,5-6,9-10H,1,3-4,7-8H2,(H,17,18).
What are the key properties of 2-cyano-2-cyclohexylidene-N-phenylacetamide?
2-cyano-2-cyclohexylidene-N-phenylacetamide has a molecular weight of 240.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-cyclohexylidene-N-phenylacetamide is sourced from PubChem (CID 702337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).