2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile

C11H7ClN2 — CID 12720675

IUPAC2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CC1c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2/c12-9-3-1-8(2-4-9)10-5-11(10,6-13)7-14/h1-4,10H,5H2
InChIKeyOJQVBQJDRIJZCE-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.86
Rot. Bonds1

About 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile

2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile (PubChem CID 12720675) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile
PubChem CID12720675
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CC1c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN2/c12-9-3-1-8(2-4-9)10-5-11(10,6-13)7-14/h1-4,10H,5H2
InChIKeyOJQVBQJDRIJZCE-UHFFFAOYSA-N
XLogP2.86
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
The IUPAC name of 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile (CID 12720675) is 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile is N#CC1(C#N)CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
The InChIKey is OJQVBQJDRIJZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-9-3-1-8(2-4-9)10-5-11(10,6-13)7-14/h1-4,10H,5H2.
What are the key properties of 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile?
2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile has a molecular weight of 202.64 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)cyclopropane-1,1-dicarbonitrile is sourced from PubChem (CID 12720675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).