1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride

C11H8ClNO — CID 117047182

IUPAC1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride
SMILESN#Cc1ccccc1C1(C(=O)Cl)CC1
InChIInChI=1S/C11H8ClNO/c12-10(14)11(5-6-11)9-4-2-1-3-8(9)7-13/h1-4H,5-6H2
InChIKeyZZLBNEKRFPRLBR-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride

1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 117047182) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride
PubChem CID117047182
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride
SMILESN#Cc1ccccc1C1(C(=O)Cl)CC1
InChIInChI=1S/C11H8ClNO/c12-10(14)11(5-6-11)9-4-2-1-3-8(9)7-13/h1-4H,5-6H2
InChIKeyZZLBNEKRFPRLBR-UHFFFAOYSA-N
XLogP2.36
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride 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 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride (CID 117047182) is 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride is N#Cc1ccccc1C1(C(=O)Cl)CC1.
What is the InChIKey of 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is ZZLBNEKRFPRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-10(14)11(5-6-11)9-4-2-1-3-8(9)7-13/h1-4H,5-6H2.
What are the key properties of 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride?
1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 205.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 117047182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).