1-methoxy-2-[(E)-2-nitroethenyl]benzene

C9H9NO3 — CID 710669

IUPAC1-methoxy-2-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccccc1/C=C/[N+](=O)[O-]
InChIInChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKeyFVKSRNVYJXQCLK-VOTSOKGWSA-N
MW179.17 g/mol
LogP1.94
Rot. Bonds3

About 1-methoxy-2-[(E)-2-nitroethenyl]benzene

1-methoxy-2-[(E)-2-nitroethenyl]benzene (PubChem CID 710669) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-methoxy-2-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(E)-2-nitroethenyl]benzene
PubChem CID710669
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name1-methoxy-2-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccccc1/C=C/[N+](=O)[O-]
InChIInChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKeyFVKSRNVYJXQCLK-VOTSOKGWSA-N
XLogP1.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.94
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-methoxy-2-[(E)-2-nitroethenyl]benzene (CID 710669) is 1-methoxy-2-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-methoxy-2-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-methoxy-2-[(E)-2-nitroethenyl]benzene is COc1ccccc1/C=C/[N+](=O)[O-].
What is the InChIKey of 1-methoxy-2-[(E)-2-nitroethenyl]benzene?
The InChIKey is FVKSRNVYJXQCLK-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+.
What are the key properties of 1-methoxy-2-[(E)-2-nitroethenyl]benzene?
1-methoxy-2-[(E)-2-nitroethenyl]benzene has a molecular weight of 179.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 710669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).