2-cyano-2-cycloheptylideneacetamide

C10H14N2O — CID 5109139

IUPAC2-cyano-2-cycloheptylideneacetamide
SMILESN#CC(C(N)=O)=C1CCCCCC1
InChIInChI=1S/C10H14N2O/c11-7-9(10(12)13)8-5-3-1-2-4-6-8/h1-6H2,(H2,12,13)
InChIKeyZHBKHLRTRHDKSN-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.65
Rot. Bonds1

About 2-cyano-2-cycloheptylideneacetamide

2-cyano-2-cycloheptylideneacetamide (PubChem CID 5109139) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-cyano-2-cycloheptylideneacetamide.

Molecular Properties

Compound Name2-cyano-2-cycloheptylideneacetamide
PubChem CID5109139
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-cyano-2-cycloheptylideneacetamide
SMILESN#CC(C(N)=O)=C1CCCCCC1
InChIInChI=1S/C10H14N2O/c11-7-9(10(12)13)8-5-3-1-2-4-6-8/h1-6H2,(H2,12,13)
InChIKeyZHBKHLRTRHDKSN-UHFFFAOYSA-N
XLogP1.65
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.65
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-cycloheptylideneacetamide?
The IUPAC name of 2-cyano-2-cycloheptylideneacetamide (CID 5109139) is 2-cyano-2-cycloheptylideneacetamide.
What is the SMILES notation for 2-cyano-2-cycloheptylideneacetamide?
The canonical SMILES for 2-cyano-2-cycloheptylideneacetamide is N#CC(C(N)=O)=C1CCCCCC1.
What is the InChIKey of 2-cyano-2-cycloheptylideneacetamide?
The InChIKey is ZHBKHLRTRHDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-7-9(10(12)13)8-5-3-1-2-4-6-8/h1-6H2,(H2,12,13).
What are the key properties of 2-cyano-2-cycloheptylideneacetamide?
2-cyano-2-cycloheptylideneacetamide has a molecular weight of 178.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-cycloheptylideneacetamide is sourced from PubChem (CID 5109139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).