[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium

C9H10NO4+ — CID 71420084

IUPAC[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium
SMILESCOC(=C[OH2+])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO4/c1-14-9(6-11)7-3-2-4-8(5-7)10(12)13/h2-6,11H,1H3/p+1
InChIKeyYOZCTNXBKGOLNZ-UHFFFAOYSA-O
MW196.18 g/mol
LogP1.26
Rot. Bonds3

About [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium

[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium (PubChem CID 71420084) has the molecular formula C9H10NO4+ and a molecular weight of 196.18 g/mol. Its IUPAC name is [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium.

Molecular Properties

Compound Name[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium
PubChem CID71420084
Molecular FormulaC9H10NO4+
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium
SMILESCOC(=C[OH2+])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9NO4/c1-14-9(6-11)7-3-2-4-8(5-7)10(12)13/h2-6,11H,1H3/p+1
InChIKeyYOZCTNXBKGOLNZ-UHFFFAOYSA-O
XLogP1.26
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-(3-nitrophenyl)ethenol
CID 71420085
methyl (E)-3-methoxy-3-(3-nitrophenyl)prop-2-enoate
CID 91622412
ethane;methyl 3-nitrobenzoate
CID 166455377
methyl (1E)-N-hydroxy-3-nitrobenzenecarboximidate
CID 6516814
methyl 3-(3-nitrophenyl)but-2-enoate
CID 123494832
methyl 4-(3-nitrophenyl)-4-oxobut-2-enoate
CID 165356420
1,3-dinitrobenzene;methyl benzoate
CID 174443884
methyl 3-nitrobenzoate;sulfuryl dichloride
CID 160807486
4-methoxy-1-(3-nitrophenyl)-3,4-dioxobut-1-en-1-olate
CID 4089070
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
(E)-N-methoxy-1-(3-nitrophenyl)prop-2-en-1-imine
CID 142946901
formyl 3-nitrobenzoate
CID 151361935

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium?
The IUPAC name of [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium (CID 71420084) is [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium.
What is the SMILES notation for [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium?
The canonical SMILES for [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium is COC(=C[OH2+])c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium?
The InChIKey is YOZCTNXBKGOLNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9NO4/c1-14-9(6-11)7-3-2-4-8(5-7)10(12)13/h2-6,11H,1H3/p+1.
What are the key properties of [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium?
[2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium has a molecular weight of 196.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-2-(3-nitrophenyl)ethenyl]oxidanium is sourced from PubChem (CID 71420084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).