5-cyclopropyl-2-(3-methylphenyl)benzonitrile

C17H15N — CID 156557850

IUPAC5-cyclopropyl-2-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2ccc(C3CC3)cc2C#N)c1
InChIInChI=1S/C17H15N/c1-12-3-2-4-15(9-12)17-8-7-14(13-5-6-13)10-16(17)11-18/h2-4,7-10,13H,5-6H2,1H3
InChIKeyAKVJLIVDZWTFRT-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.41
Rot. Bonds2

About 5-cyclopropyl-2-(3-methylphenyl)benzonitrile

5-cyclopropyl-2-(3-methylphenyl)benzonitrile (PubChem CID 156557850) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-cyclopropyl-2-(3-methylphenyl)benzonitrile.

Molecular Properties

Compound Name5-cyclopropyl-2-(3-methylphenyl)benzonitrile
PubChem CID156557850
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name5-cyclopropyl-2-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2ccc(C3CC3)cc2C#N)c1
InChIInChI=1S/C17H15N/c1-12-3-2-4-15(9-12)17-8-7-14(13-5-6-13)10-16(17)11-18/h2-4,7-10,13H,5-6H2,1H3
InChIKeyAKVJLIVDZWTFRT-UHFFFAOYSA-N
XLogP4.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(3-methylphenyl)benzonitrile?
The IUPAC name of 5-cyclopropyl-2-(3-methylphenyl)benzonitrile (CID 156557850) is 5-cyclopropyl-2-(3-methylphenyl)benzonitrile.
What is the SMILES notation for 5-cyclopropyl-2-(3-methylphenyl)benzonitrile?
The canonical SMILES for 5-cyclopropyl-2-(3-methylphenyl)benzonitrile is Cc1cccc(-c2ccc(C3CC3)cc2C#N)c1.
What is the InChIKey of 5-cyclopropyl-2-(3-methylphenyl)benzonitrile?
The InChIKey is AKVJLIVDZWTFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-3-2-4-15(9-12)17-8-7-14(13-5-6-13)10-16(17)11-18/h2-4,7-10,13H,5-6H2,1H3.
What are the key properties of 5-cyclopropyl-2-(3-methylphenyl)benzonitrile?
5-cyclopropyl-2-(3-methylphenyl)benzonitrile has a molecular weight of 233.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(3-methylphenyl)benzonitrile is sourced from PubChem (CID 156557850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).