[(Z)-2-nitro-2-phenylethenyl]benzene

C14H11NO2 — CID 2818500

IUPAC[(Z)-2-nitro-2-phenylethenyl]benzene
SMILESO=[N+]([O-])/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-
InChIKeyQIFBVYLHLLTNLI-KAMYIIQDSA-N
MW225.25 g/mol
LogP3.46
Rot. Bonds3

About [(Z)-2-nitro-2-phenylethenyl]benzene

[(Z)-2-nitro-2-phenylethenyl]benzene (PubChem CID 2818500) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [(Z)-2-nitro-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-nitro-2-phenylethenyl]benzene
PubChem CID2818500
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name[(Z)-2-nitro-2-phenylethenyl]benzene
SMILESO=[N+]([O-])/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-
InChIKeyQIFBVYLHLLTNLI-KAMYIIQDSA-N
XLogP3.46
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze [(Z)-2-nitro-2-phenylethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-nitro-2-phenylethenyl)aniline
CID 54368133
1-tert-butyl-4-(2-nitro-2-phenylethenyl)benzene
CID 76996214
1,2-bis(1-nitro-2-phenylethenyl)benzene
CID 154163750
4-(2-nitro-2-phenylethenyl)benzene-1,2-diol
CID 76948542
1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 76948521
2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
CID 104823179
1-chloro-2-nitro-4-(2-nitro-2-phenylethenyl)benzene
CID 76948503
3-nitro-3-phenylprop-2-enoic acid
CID 54438335
2-chloro-1-methoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 77052850
[(Z)-2-chloro-2-nitroethenyl]benzene
CID 10877784
2-nitroprop-1-enylbenzene
CID 12807
(Z)-4-nitro-4-phenylbut-3-en-2-one
CID 6439839

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-nitro-2-phenylethenyl]benzene?
The IUPAC name of [(Z)-2-nitro-2-phenylethenyl]benzene (CID 2818500) is [(Z)-2-nitro-2-phenylethenyl]benzene.
What is the SMILES notation for [(Z)-2-nitro-2-phenylethenyl]benzene?
The canonical SMILES for [(Z)-2-nitro-2-phenylethenyl]benzene is O=[N+]([O-])/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-2-nitro-2-phenylethenyl]benzene?
The InChIKey is QIFBVYLHLLTNLI-KAMYIIQDSA-N. The full InChI is InChI=1S/C14H11NO2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-.
What are the key properties of [(Z)-2-nitro-2-phenylethenyl]benzene?
[(Z)-2-nitro-2-phenylethenyl]benzene has a molecular weight of 225.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-nitro-2-phenylethenyl]benzene is sourced from PubChem (CID 2818500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).