2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile

C16H14N2O2 — CID 71188452

IUPAC2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O2/c1-16(2,11-17)13-9-7-12(8-10-13)14-5-3-4-6-15(14)18(19)20/h3-10H,1-2H3
InChIKeyZTGFFIMMHWIJPW-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile

2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile (PubChem CID 71188452) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile
PubChem CID71188452
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O2/c1-16(2,11-17)13-9-7-12(8-10-13)14-5-3-4-6-15(14)18(19)20/h3-10H,1-2H3
InChIKeyZTGFFIMMHWIJPW-UHFFFAOYSA-N
XLogP4.06
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
CID 71188447
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
2-(3-bromo-4-nitrophenyl)-2-methylpropanenitrile
CID 170357683
2-[4-(2-nitrophenyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608614
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
1-(4-isocyanatophenyl)-2-nitrobenzene
CID 87202293
4-[4-(2-nitrophenyl)phenyl]but-3-yn-2-one
CID 71188462
acetonitrile;1,2-dinitrobenzene
CID 174895848
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
(2S)-2-amino-2-(2-nitrophenyl)propanenitrile
CID 130719593
9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile (CID 71188452) is 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile is CC(C)(C#N)c1ccc(-c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile?
The InChIKey is ZTGFFIMMHWIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-16(2,11-17)13-9-7-12(8-10-13)14-5-3-4-6-15(14)18(19)20/h3-10H,1-2H3.
What are the key properties of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile?
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile has a molecular weight of 266.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile is sourced from PubChem (CID 71188452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).