4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile

C15H10N2O2 — CID 155931404

IUPAC4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H10N2O2/c16-11-13-7-5-12(6-8-13)9-10-14-3-1-2-4-15(14)17(18)19/h1-10H/b10-9+
InChIKeyKZDZJXVMXRZTQH-MDZDMXLPSA-N
MW250.26 g/mol
LogP3.64
Rot. Bonds3

About 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile

4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile (PubChem CID 155931404) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
PubChem CID155931404
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H10N2O2/c16-11-13-7-5-12(6-8-13)9-10-14-3-1-2-4-15(14)17(18)19/h1-10H/b10-9+
InChIKeyKZDZJXVMXRZTQH-MDZDMXLPSA-N
XLogP3.64
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.64
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[[(E)-2-(2-nitrophenyl)ethenyl]sulfonylmethyl]benzonitrile
CID 22065288
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
4-[(2-nitrophenyl)iminomethyl]benzonitrile
CID 11594011
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
CID 66772066
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
4-[2-(2-nitrophenyl)ethynyl]benzonitrile
CID 102320558

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile (CID 155931404) is 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile?
The InChIKey is KZDZJXVMXRZTQH-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H10N2O2/c16-11-13-7-5-12(6-8-13)9-10-14-3-1-2-4-15(14)17(18)19/h1-10H/b10-9+.
What are the key properties of 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile?
4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile has a molecular weight of 250.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-nitrophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 155931404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).