2-(2,5-dimethylphenyl)acetonitrile

C10H11N — CID 27753

IUPAC2-(2,5-dimethylphenyl)acetonitrile
SMILESCc1ccc(C)c(CC#N)c1
InChIInChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
InChIKeyHCELORQTHSKCQL-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.37
Rot. Bonds1

About 2-(2,5-dimethylphenyl)acetonitrile

2-(2,5-dimethylphenyl)acetonitrile (PubChem CID 27753) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)acetonitrile
PubChem CID27753
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-(2,5-dimethylphenyl)acetonitrile
SMILESCc1ccc(C)c(CC#N)c1
InChIInChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
InChIKeyHCELORQTHSKCQL-UHFFFAOYSA-N
XLogP2.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(2,5-dimethylphenyl)acetonitrile (CID 27753) is 2-(2,5-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(2,5-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(2,5-dimethylphenyl)acetonitrile is Cc1ccc(C)c(CC#N)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)acetonitrile?
The InChIKey is HCELORQTHSKCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)acetonitrile?
2-(2,5-dimethylphenyl)acetonitrile has a molecular weight of 145.20 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)acetonitrile is sourced from PubChem (CID 27753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).