1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile

C14H17N — CID 116842259

IUPAC1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCc1ccc(C)c(C2(C#N)CC2(C)C)c1
InChIInChI=1S/C14H17N/c1-10-5-6-11(2)12(7-10)14(9-15)8-13(14,3)4/h5-7H,8H2,1-4H3
InChIKeyMKXFPMLAVYEAQB-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.49
Rot. Bonds1

About 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile

1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile (PubChem CID 116842259) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
PubChem CID116842259
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCc1ccc(C)c(C2(C#N)CC2(C)C)c1
InChIInChI=1S/C14H17N/c1-10-5-6-11(2)12(7-10)14(9-15)8-13(14,3)4/h5-7H,8H2,1-4H3
InChIKeyMKXFPMLAVYEAQB-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116842289
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842299
1-(2,4-difluorophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842312
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842398
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863052
1-(2-methoxy-5-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842284
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
1-(4-bromophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 82382874
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842313
1-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842265

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile (CID 116842259) is 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile is Cc1ccc(C)c(C2(C#N)CC2(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
The InChIKey is MKXFPMLAVYEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-5-6-11(2)12(7-10)14(9-15)8-13(14,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile?
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,2-dimethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116842259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).