2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile

C12H13N — CID 116836914

IUPAC2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C2CC2C#N)c(C)c1
InChIInChI=1S/C12H13N/c1-8-3-4-11(9(2)5-8)12-6-10(12)7-13/h3-5,10,12H,6H2,1-2H3
InChIKeyPTPWHJYYIPRLPX-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.93
Rot. Bonds1

About 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile

2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile (PubChem CID 116836914) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile
PubChem CID116836914
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile
SMILESCc1ccc(C2CC2C#N)c(C)c1
InChIInChI=1S/C12H13N/c1-8-3-4-11(9(2)5-8)12-6-10(12)7-13/h3-5,10,12H,6H2,1-2H3
InChIKeyPTPWHJYYIPRLPX-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
1-(2-bromocyclopropyl)-2,4-dimethylbenzene
CID 130539902
1-(2,4-dimethylcyclohexyl)-2,4-dimethylbenzene
CID 23529825
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
4-(2,4-dimethylphenyl)-2,6-dimethylpiperidine
CID 142342615
[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
CID 81011171
6-(2,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817723
(1S,3R,4S)-4-(2,4-dimethylphenyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 720604
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
N-(cyclopropylmethyl)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 135160107

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile (CID 116836914) is 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile is Cc1ccc(C2CC2C#N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is PTPWHJYYIPRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-8-3-4-11(9(2)5-8)12-6-10(12)7-13/h3-5,10,12H,6H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile?
2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 171.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).