9-[(E)-2-nitroethenyl]anthracene

C16H11NO2 — CID 687332

IUPAC9-[(E)-2-nitroethenyl]anthracene
SMILESO=[N+]([O-])/C=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+
InChIKeyGYOMWYPUMGJROJ-MDZDMXLPSA-N
MW249.27 g/mol
LogP4.24
Rot. Bonds2

About 9-[(E)-2-nitroethenyl]anthracene

9-[(E)-2-nitroethenyl]anthracene (PubChem CID 687332) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 9-[(E)-2-nitroethenyl]anthracene.

Molecular Properties

Compound Name9-[(E)-2-nitroethenyl]anthracene
PubChem CID687332
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name9-[(E)-2-nitroethenyl]anthracene
SMILESO=[N+]([O-])/C=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+
InChIKeyGYOMWYPUMGJROJ-MDZDMXLPSA-N
XLogP4.24
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 54.24
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(E)-2-nitroethenyl]anthracene?
The IUPAC name of 9-[(E)-2-nitroethenyl]anthracene (CID 687332) is 9-[(E)-2-nitroethenyl]anthracene.
What is the SMILES notation for 9-[(E)-2-nitroethenyl]anthracene?
The canonical SMILES for 9-[(E)-2-nitroethenyl]anthracene is O=[N+]([O-])/C=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-[(E)-2-nitroethenyl]anthracene?
The InChIKey is GYOMWYPUMGJROJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+.
What are the key properties of 9-[(E)-2-nitroethenyl]anthracene?
9-[(E)-2-nitroethenyl]anthracene has a molecular weight of 249.27 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-2-nitroethenyl]anthracene is sourced from PubChem (CID 687332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).