1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile

C14H17N — CID 116841989

IUPAC1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C)c(C2CC2(C)C#N)c(C)c1
InChIInChI=1S/C14H17N/c1-9-5-10(2)13(11(3)6-9)12-7-14(12,4)8-15/h5-6,12H,7H2,1-4H3
InChIKeyVRGQOVIHMHGUPM-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.63
Rot. Bonds1

About 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile

1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile (PubChem CID 116841989) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
PubChem CID116841989
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
SMILESCc1cc(C)c(C2CC2(C)C#N)c(C)c1
InChIInChI=1S/C14H17N/c1-9-5-10(2)13(11(3)6-9)12-7-14(12,4)8-15/h5-6,12H,7H2,1-4H3
InChIKeyVRGQOVIHMHGUPM-UHFFFAOYSA-N
XLogP3.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile (CID 116841989) is 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile is Cc1cc(C)c(C2CC2(C)C#N)c(C)c1.
What is the InChIKey of 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is VRGQOVIHMHGUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-9-5-10(2)13(11(3)6-9)12-7-14(12,4)8-15/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile?
1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116841989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).