methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium

C9H9N2O4+ — CID 123531168

IUPACmethoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(C=C[N+](=O)[O-])cc1
InChIInChI=1S/C9H9N2O4/c1-15-11(14)9-4-2-8(3-5-9)6-7-10(12)13/h2-7H,1H3/q+1
InChIKeyMVOTUFIUYFWYCR-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.91
Rot. Bonds4

About methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium

methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium (PubChem CID 123531168) has the molecular formula C9H9N2O4+ and a molecular weight of 209.18 g/mol. Its IUPAC name is methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
PubChem CID123531168
Molecular FormulaC9H9N2O4+
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Namemethoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(C=C[N+](=O)[O-])cc1
InChIInChI=1S/C9H9N2O4/c1-15-11(14)9-4-2-8(3-5-9)6-7-10(12)13/h2-7H,1H3/q+1
InChIKeyMVOTUFIUYFWYCR-UHFFFAOYSA-N
XLogP1.91
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium?
The IUPAC name of methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium (CID 123531168) is methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium?
The canonical SMILES for methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium is CO[N+](=O)c1ccc(C=C[N+](=O)[O-])cc1.
What is the InChIKey of methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium?
The InChIKey is MVOTUFIUYFWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O4/c1-15-11(14)9-4-2-8(3-5-9)6-7-10(12)13/h2-7H,1H3/q+1.
What are the key properties of methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium?
methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium has a molecular weight of 209.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium is sourced from PubChem (CID 123531168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).