2-[(E)-2-nitroethenyl]naphthalene

C12H9NO2 — CID 5357963

IUPAC2-[(E)-2-nitroethenyl]naphthalene
SMILESO=[N+]([O-])/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C12H9NO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+
InChIKeyFSQRAMKGHLSZCT-BQYQJAHWSA-N
MW199.21 g/mol
LogP3.09
Rot. Bonds2

About 2-[(E)-2-nitroethenyl]naphthalene

2-[(E)-2-nitroethenyl]naphthalene (PubChem CID 5357963) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(E)-2-nitroethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-nitroethenyl]naphthalene
PubChem CID5357963
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-[(E)-2-nitroethenyl]naphthalene
SMILESO=[N+]([O-])/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C12H9NO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+
InChIKeyFSQRAMKGHLSZCT-BQYQJAHWSA-N
XLogP3.09
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitroethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-nitroethenyl]naphthalene (CID 5357963) is 2-[(E)-2-nitroethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-nitroethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-nitroethenyl]naphthalene is O=[N+]([O-])/C=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-2-nitroethenyl]naphthalene?
The InChIKey is FSQRAMKGHLSZCT-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H9NO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-9H/b8-7+.
What are the key properties of 2-[(E)-2-nitroethenyl]naphthalene?
2-[(E)-2-nitroethenyl]naphthalene has a molecular weight of 199.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitroethenyl]naphthalene is sourced from PubChem (CID 5357963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).