1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane

C13H16ClN — CID 177007084

IUPAC1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane
SMILESCC.Cc1cccc(Cl)c1C1(C#N)CC1
InChIInChI=1S/C11H10ClN.C2H6/c1-8-3-2-4-9(12)10(8)11(7-13)5-6-11;1-2/h2-4H,5-6H2,1H3;1-2H3
InChIKeyCSWXHSQEAIPGLB-UHFFFAOYSA-N
MW221.73 g/mol
LogP4.23
Rot. Bonds1

About 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane

1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane (PubChem CID 177007084) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane
PubChem CID177007084
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane
SMILESCC.Cc1cccc(Cl)c1C1(C#N)CC1
InChIInChI=1S/C11H10ClN.C2H6/c1-8-3-2-4-9(12)10(8)11(7-13)5-6-11;1-2/h2-4H,5-6H2,1H3;1-2H3
InChIKeyCSWXHSQEAIPGLB-UHFFFAOYSA-N
XLogP4.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane?
The IUPAC name of 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane (CID 177007084) is 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane is CC.Cc1cccc(Cl)c1C1(C#N)CC1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane?
The InChIKey is CSWXHSQEAIPGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN.C2H6/c1-8-3-2-4-9(12)10(8)11(7-13)5-6-11;1-2/h2-4H,5-6H2,1H3;1-2H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane?
1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane has a molecular weight of 221.73 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)cyclopropane-1-carbonitrile;ethane is sourced from PubChem (CID 177007084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).