[(E)-2-nitroethenyl]benzene

C8H7NO2 — CID 5284459

IUPAC[(E)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C/c1ccccc1
InChIInChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyPIAOLBVUVDXHHL-VOTSOKGWSA-N
MW149.15 g/mol
LogP1.93
Rot. Bonds2

About [(E)-2-nitroethenyl]benzene

[(E)-2-nitroethenyl]benzene (PubChem CID 5284459) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is [(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-nitroethenyl]benzene
PubChem CID5284459
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name[(E)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C/c1ccccc1
InChIInChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyPIAOLBVUVDXHHL-VOTSOKGWSA-N
XLogP1.93
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.93
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'}

Analyze [(E)-2-nitroethenyl]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

2-nitroethenylbenzene
CID 7626
1-(2-nitroethenyl)-4-phenoxybenzene
CID 54104165
[(1E,5E)-6-nitrohexa-1,5-dien-3-ynyl]benzene
CID 102228268
2-nitroethenylbenzene;2-phenylethenyl acetate
CID 157123844
1-(2-nitroethenyl)-3-phenoxybenzene
CID 2732974
1,2-bis(2-nitroethenyl)benzene
CID 154283712
4-[(Z)-2-nitroethenyl]phenol
CID 15311368
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
3-(2-nitroethenyl)benzaldehyde
CID 173163142
4-[(E)-2-nitroethenyl]benzoic acid
CID 7016907
methoxy-oxo-(2-phenylethenyl)azanium
CID 123624493
1-(2-nitroethenyl)-4-[4-(2-nitroethenyl)phenyl]sulfonylbenzene
CID 87998421

Frequently Asked Questions

What is the IUPAC name of [(E)-2-nitroethenyl]benzene?
The IUPAC name of [(E)-2-nitroethenyl]benzene (CID 5284459) is [(E)-2-nitroethenyl]benzene.
What is the SMILES notation for [(E)-2-nitroethenyl]benzene?
The canonical SMILES for [(E)-2-nitroethenyl]benzene is O=[N+]([O-])/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-nitroethenyl]benzene?
The InChIKey is PIAOLBVUVDXHHL-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of [(E)-2-nitroethenyl]benzene?
[(E)-2-nitroethenyl]benzene has a molecular weight of 149.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 5284459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).