4-chloro-2-cyclopropylbenzonitrile

C10H8ClN — CID 90240370

IUPAC4-chloro-2-cyclopropylbenzonitrile
SMILESN#Cc1ccc(Cl)cc1C1CC1
InChIInChI=1S/C10H8ClN/c11-9-4-3-8(6-12)10(5-9)7-1-2-7/h3-5,7H,1-2H2
InChIKeyMUJRHMMBACPNLG-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.09
Rot. Bonds1

About 4-chloro-2-cyclopropylbenzonitrile

4-chloro-2-cyclopropylbenzonitrile (PubChem CID 90240370) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 4-chloro-2-cyclopropylbenzonitrile.

Molecular Properties

Compound Name4-chloro-2-cyclopropylbenzonitrile
PubChem CID90240370
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name4-chloro-2-cyclopropylbenzonitrile
SMILESN#Cc1ccc(Cl)cc1C1CC1
InChIInChI=1S/C10H8ClN/c11-9-4-3-8(6-12)10(5-9)7-1-2-7/h3-5,7H,1-2H2
InChIKeyMUJRHMMBACPNLG-UHFFFAOYSA-N
XLogP3.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-cyclopropylbenzonitrile 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 4-chloro-2-cyclopropylbenzonitrile?
The IUPAC name of 4-chloro-2-cyclopropylbenzonitrile (CID 90240370) is 4-chloro-2-cyclopropylbenzonitrile.
What is the SMILES notation for 4-chloro-2-cyclopropylbenzonitrile?
The canonical SMILES for 4-chloro-2-cyclopropylbenzonitrile is N#Cc1ccc(Cl)cc1C1CC1.
What is the InChIKey of 4-chloro-2-cyclopropylbenzonitrile?
The InChIKey is MUJRHMMBACPNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-9-4-3-8(6-12)10(5-9)7-1-2-7/h3-5,7H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropylbenzonitrile?
4-chloro-2-cyclopropylbenzonitrile has a molecular weight of 177.63 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropylbenzonitrile is sourced from PubChem (CID 90240370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).