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

C11H8ClNO — CID 58392266

IUPAC2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO/c12-9-3-1-7(2-4-9)11(14)10-5-8(10)6-13/h1-4,8,10H,5H2
InChIKeyPQUIFUUTJBLWOR-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.68
Rot. Bonds2

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

2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile (PubChem CID 58392266) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile
PubChem CID58392266
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO/c12-9-3-1-7(2-4-9)11(14)10-5-8(10)6-13/h1-4,8,10H,5H2
InChIKeyPQUIFUUTJBLWOR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile (CID 58392266) is 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile is N#CC1CC1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile?
The InChIKey is PQUIFUUTJBLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-9-3-1-7(2-4-9)11(14)10-5-8(10)6-13/h1-4,8,10H,5H2.
What are the key properties of 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile?
2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile has a molecular weight of 205.64 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 58392266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).