6-ethenyl-2-methoxy-1-nitronaphthalene

C13H11NO3 — CID 11413556

IUPAC6-ethenyl-2-methoxy-1-nitronaphthalene
SMILESC=Cc1ccc2c([N+](=O)[O-])c(OC)ccc2c1
InChIInChI=1S/C13H11NO3/c1-3-9-4-6-11-10(8-9)5-7-12(17-2)13(11)14(15)16/h3-8H,1H2,2H3
InChIKeyXALXICCYABKQEN-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.40
Rot. Bonds3

About 6-ethenyl-2-methoxy-1-nitronaphthalene

6-ethenyl-2-methoxy-1-nitronaphthalene (PubChem CID 11413556) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-ethenyl-2-methoxy-1-nitronaphthalene.

Molecular Properties

Compound Name6-ethenyl-2-methoxy-1-nitronaphthalene
PubChem CID11413556
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name6-ethenyl-2-methoxy-1-nitronaphthalene
SMILESC=Cc1ccc2c([N+](=O)[O-])c(OC)ccc2c1
InChIInChI=1S/C13H11NO3/c1-3-9-4-6-11-10(8-9)5-7-12(17-2)13(11)14(15)16/h3-8H,1H2,2H3
InChIKeyXALXICCYABKQEN-UHFFFAOYSA-N
XLogP3.40
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.40
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 6-ethenyl-2-methoxy-1-nitronaphthalene?
The IUPAC name of 6-ethenyl-2-methoxy-1-nitronaphthalene (CID 11413556) is 6-ethenyl-2-methoxy-1-nitronaphthalene.
What is the SMILES notation for 6-ethenyl-2-methoxy-1-nitronaphthalene?
The canonical SMILES for 6-ethenyl-2-methoxy-1-nitronaphthalene is C=Cc1ccc2c([N+](=O)[O-])c(OC)ccc2c1.
What is the InChIKey of 6-ethenyl-2-methoxy-1-nitronaphthalene?
The InChIKey is XALXICCYABKQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-3-9-4-6-11-10(8-9)5-7-12(17-2)13(11)14(15)16/h3-8H,1H2,2H3.
What are the key properties of 6-ethenyl-2-methoxy-1-nitronaphthalene?
6-ethenyl-2-methoxy-1-nitronaphthalene has a molecular weight of 229.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-methoxy-1-nitronaphthalene is sourced from PubChem (CID 11413556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).