2-(4-chlorophenoxy)cyclopropane-1-carbonitrile

C10H8ClNO — CID 142490296

IUPAC2-(4-chlorophenoxy)cyclopropane-1-carbonitrile
SMILESN#CC1CC1Oc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO/c11-8-1-3-9(4-2-8)13-10-5-7(10)6-12/h1-4,7,10H,5H2
InChIKeyOSTOVIUFSAPTTF-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.63
Rot. Bonds2

About 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile

2-(4-chlorophenoxy)cyclopropane-1-carbonitrile (PubChem CID 142490296) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenoxy)cyclopropane-1-carbonitrile
PubChem CID142490296
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-(4-chlorophenoxy)cyclopropane-1-carbonitrile
SMILESN#CC1CC1Oc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO/c11-8-1-3-9(4-2-8)13-10-5-7(10)6-12/h1-4,7,10H,5H2
InChIKeyOSTOVIUFSAPTTF-UHFFFAOYSA-N
XLogP2.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile (CID 142490296) is 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile is N#CC1CC1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile?
The InChIKey is OSTOVIUFSAPTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-8-1-3-9(4-2-8)13-10-5-7(10)6-12/h1-4,7,10H,5H2.
What are the key properties of 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile?
2-(4-chlorophenoxy)cyclopropane-1-carbonitrile has a molecular weight of 193.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)cyclopropane-1-carbonitrile is sourced from PubChem (CID 142490296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).