3-imino-2,3-diphenylpropanenitrile

C15H12N2 — CID 123903802

IUPAC3-imino-2,3-diphenylpropanenitrile
SMILES[H]/N=C(\c1ccccc1)C(C#N)c1ccccc1
InChIInChI=1S/C15H12N2/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14,17H/b17-15+
InChIKeyFLTZPMWLRXCWFG-BMRADRMJSA-N
MW220.28 g/mol
LogP3.36
Rot. Bonds3

About 3-imino-2,3-diphenylpropanenitrile

3-imino-2,3-diphenylpropanenitrile (PubChem CID 123903802) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-imino-2,3-diphenylpropanenitrile.

Molecular Properties

Compound Name3-imino-2,3-diphenylpropanenitrile
PubChem CID123903802
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name3-imino-2,3-diphenylpropanenitrile
SMILES[H]/N=C(\c1ccccc1)C(C#N)c1ccccc1
InChIInChI=1S/C15H12N2/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14,17H/b17-15+
InChIKeyFLTZPMWLRXCWFG-BMRADRMJSA-N
XLogP3.36
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-oxo-2,3-diphenylbut-3-enenitrile
CID 123689910
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
(2R,3E,4E,5S)-3,4-bis(hydroxyimino)-2,5-diphenylhexanedinitrile
CID 136716145
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
2-methyl-1-phenylbutan-1-imine
CID 12072867
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
2-(pyridine-3-carboximidoyl)propanedinitrile
CID 7062251
2-(3-ethynylphenyl)-2-[methyl(methylamino)amino]-1-phenylethanimine
CID 143838825
3-(2-methylsulfanylphenyl)-3-oxo-2-phenylpropanenitrile
CID 113224931
(2S)-2-(1,3-benzothiazol-2-yl)-3-iminopentanedinitrile
CID 7712777
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
1-(4-chlorophenyl)-2-phenylbutan-1-imine
CID 143568831

Frequently Asked Questions

What is the IUPAC name of 3-imino-2,3-diphenylpropanenitrile?
The IUPAC name of 3-imino-2,3-diphenylpropanenitrile (CID 123903802) is 3-imino-2,3-diphenylpropanenitrile.
What is the SMILES notation for 3-imino-2,3-diphenylpropanenitrile?
The canonical SMILES for 3-imino-2,3-diphenylpropanenitrile is [H]/N=C(\c1ccccc1)C(C#N)c1ccccc1.
What is the InChIKey of 3-imino-2,3-diphenylpropanenitrile?
The InChIKey is FLTZPMWLRXCWFG-BMRADRMJSA-N. The full InChI is InChI=1S/C15H12N2/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14,17H/b17-15+.
What are the key properties of 3-imino-2,3-diphenylpropanenitrile?
3-imino-2,3-diphenylpropanenitrile has a molecular weight of 220.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2,3-diphenylpropanenitrile is sourced from PubChem (CID 123903802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).