1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile

C12H13N — CID 116842076

IUPAC1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cccc(C2CC2(C)C#N)c1
InChIInChI=1S/C12H13N/c1-9-4-3-5-10(6-9)11-7-12(11,2)8-13/h3-6,11H,7H2,1-2H3
InChIKeyQTYLSGHHGZFUHA-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.01
Rot. Bonds1

About 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile

1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile (PubChem CID 116842076) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile
PubChem CID116842076
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cccc(C2CC2(C)C#N)c1
InChIInChI=1S/C12H13N/c1-9-4-3-5-10(6-9)11-7-12(11,2)8-13/h3-6,11H,7H2,1-2H3
InChIKeyQTYLSGHHGZFUHA-UHFFFAOYSA-N
XLogP3.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbonitrile
CID 116841957
1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116841989
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylcyclopropane-1-carbonitrile
CID 116841966
1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
tert-butyl 1-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylate
CID 175646816
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
3,3-dimethyl-2-(3-methylphenyl)oxetane
CID 143264180
2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
CID 81416308
bis(acetonitrile);azane;1,3-xylene
CID 70638628
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile
CID 21433542
1-methyl-2-(2-methyl-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 116842037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile (CID 116842076) is 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile is Cc1cccc(C2CC2(C)C#N)c1.
What is the InChIKey of 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is QTYLSGHHGZFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-9-4-3-5-10(6-9)11-7-12(11,2)8-13/h3-6,11H,7H2,1-2H3.
What are the key properties of 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile?
1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 171.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116842076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).