1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile

C17H15N — CID 58012530

IUPAC1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C2(C#N)CC2)ccc1-c1ccccc1
InChIInChI=1S/C17H15N/c1-13-11-15(17(12-18)9-10-17)7-8-16(13)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyAAJFZPKSCKWGFQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.22
Rot. Bonds2

About 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile

1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile (PubChem CID 58012530) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile
PubChem CID58012530
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C2(C#N)CC2)ccc1-c1ccccc1
InChIInChI=1S/C17H15N/c1-13-11-15(17(12-18)9-10-17)7-8-16(13)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyAAJFZPKSCKWGFQ-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile (CID 58012530) is 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile is Cc1cc(C2(C#N)CC2)ccc1-c1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is AAJFZPKSCKWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-13-11-15(17(12-18)9-10-17)7-8-16(13)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile?
1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 58012530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).