2-(2-cyano-1-phenylpropan-2-yl)benzonitrile

C17H14N2 — CID 117048187

IUPAC2-(2-cyano-1-phenylpropan-2-yl)benzonitrile
SMILESCC(C#N)(Cc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C17H14N2/c1-17(13-19,11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)12-18/h2-10H,11H2,1H3
InChIKeyKVVFMYBXLYNMQD-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.58
Rot. Bonds3

About 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile

2-(2-cyano-1-phenylpropan-2-yl)benzonitrile (PubChem CID 117048187) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-cyano-1-phenylpropan-2-yl)benzonitrile
PubChem CID117048187
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-(2-cyano-1-phenylpropan-2-yl)benzonitrile
SMILESCC(C#N)(Cc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C17H14N2/c1-17(13-19,11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)12-18/h2-10H,11H2,1H3
InChIKeyKVVFMYBXLYNMQD-UHFFFAOYSA-N
XLogP3.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropan-2-yl)benzonitrile
CID 67754511
2-methyl-2-(2-methyl-1H-imidazol-5-yl)-3-phenylpropanenitrile
CID 152719155
2-(2-methylpentan-2-yl)benzonitrile
CID 68719325
2-(3-chlorophenyl)-2-methyl-3-phenylpropanenitrile
CID 117048203
2-benzyl-2-hydroxypropanedinitrile
CID 15525239
2-benzyl-2-methylbutanenitrile
CID 65377862
2-(1-methoxy-2-methylpropan-2-yl)benzonitrile
CID 115110865
2-benzyl-3,3,3-trifluoro-2-methylpropanenitrile
CID 122229682
2-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048447
2-[1,1,2,2-tetrachloro-2-(2-cyanophenyl)ethyl]benzonitrile
CID 11726603
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
ethyl 2-(2-cyanophenyl)-2-methylbutanoate
CID 117047728

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile?
The IUPAC name of 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile (CID 117048187) is 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile.
What is the SMILES notation for 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile?
The canonical SMILES for 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile is CC(C#N)(Cc1ccccc1)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile?
The InChIKey is KVVFMYBXLYNMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-17(13-19,11-14-7-3-2-4-8-14)16-10-6-5-9-15(16)12-18/h2-10H,11H2,1H3.
What are the key properties of 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile?
2-(2-cyano-1-phenylpropan-2-yl)benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-1-phenylpropan-2-yl)benzonitrile is sourced from PubChem (CID 117048187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).