1-(1-methoxyethenyl)-4-nitrobenzene

C9H9NO3 — CID 3014201

IUPAC1-(1-methoxyethenyl)-4-nitrobenzene
SMILESC=C(OC)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-6H,1H2,2H3
InChIKeyZCFKVTMOUPGVJR-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.21
Rot. Bonds3

About 1-(1-methoxyethenyl)-4-nitrobenzene

1-(1-methoxyethenyl)-4-nitrobenzene (PubChem CID 3014201) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(1-methoxyethenyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-(1-methoxyethenyl)-4-nitrobenzene
PubChem CID3014201
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name1-(1-methoxyethenyl)-4-nitrobenzene
SMILESC=C(OC)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H9NO3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-6H,1H2,2H3
InChIKeyZCFKVTMOUPGVJR-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(1-methoxyethenyl)-4-nitrobenzene?
The IUPAC name of 1-(1-methoxyethenyl)-4-nitrobenzene (CID 3014201) is 1-(1-methoxyethenyl)-4-nitrobenzene.
What is the SMILES notation for 1-(1-methoxyethenyl)-4-nitrobenzene?
The canonical SMILES for 1-(1-methoxyethenyl)-4-nitrobenzene is C=C(OC)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(1-methoxyethenyl)-4-nitrobenzene?
The InChIKey is ZCFKVTMOUPGVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-7(13-2)8-3-5-9(6-4-8)10(11)12/h3-6H,1H2,2H3.
What are the key properties of 1-(1-methoxyethenyl)-4-nitrobenzene?
1-(1-methoxyethenyl)-4-nitrobenzene has a molecular weight of 179.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethenyl)-4-nitrobenzene is sourced from PubChem (CID 3014201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).