N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide

C7H6Cl2N2O — CID 155898874

IUPACN-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide
SMILESN#CC(NC(=O)C1CC1)=C(Cl)Cl
InChIInChI=1S/C7H6Cl2N2O/c8-6(9)5(3-10)11-7(12)4-1-2-4/h4H,1-2H2,(H,11,12)
InChIKeyHARMCYQLEUHDER-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.68
Rot. Bonds2

About N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide

N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide (PubChem CID 155898874) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide
PubChem CID155898874
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC NameN-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide
SMILESN#CC(NC(=O)C1CC1)=C(Cl)Cl
InChIInChI=1S/C7H6Cl2N2O/c8-6(9)5(3-10)11-7(12)4-1-2-4/h4H,1-2H2,(H,11,12)
InChIKeyHARMCYQLEUHDER-UHFFFAOYSA-N
XLogP1.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide 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-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide (CID 155898874) is N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide is N#CC(NC(=O)C1CC1)=C(Cl)Cl.
What is the InChIKey of N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide?
The InChIKey is HARMCYQLEUHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c8-6(9)5(3-10)11-7(12)4-1-2-4/h4H,1-2H2,(H,11,12).
What are the key properties of N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide?
N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide has a molecular weight of 205.04 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-1-cyanoethenyl)cyclopropanecarboxamide is sourced from PubChem (CID 155898874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).