2-methyl-2-phenylpropanenitrile

C10H11N — CID 2797591

IUPAC2-methyl-2-phenylpropanenitrile
SMILESCC(C)(C#N)c1ccccc1
InChIInChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyPGQTYXFMSZUGOW-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.49
Rot. Bonds1

About 2-methyl-2-phenylpropanenitrile

2-methyl-2-phenylpropanenitrile (PubChem CID 2797591) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methyl-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-methyl-2-phenylpropanenitrile
PubChem CID2797591
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-methyl-2-phenylpropanenitrile
SMILESCC(C)(C#N)c1ccccc1
InChIInChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyPGQTYXFMSZUGOW-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylpropanenitrile?
The IUPAC name of 2-methyl-2-phenylpropanenitrile (CID 2797591) is 2-methyl-2-phenylpropanenitrile.
What is the SMILES notation for 2-methyl-2-phenylpropanenitrile?
The canonical SMILES for 2-methyl-2-phenylpropanenitrile is CC(C)(C#N)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenylpropanenitrile?
The InChIKey is PGQTYXFMSZUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 2-methyl-2-phenylpropanenitrile?
2-methyl-2-phenylpropanenitrile has a molecular weight of 145.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylpropanenitrile is sourced from PubChem (CID 2797591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).