ethenyl-methoxy-oxoazanium

C3H6NO2+ — CID 123704544

IUPACethenyl-methoxy-oxoazanium
SMILESC=C[N+](=O)OC
InChIInChI=1S/C3H6NO2/c1-3-4(5)6-2/h3H,1H2,2H3/q+1
InChIKeyDDKOAMUOLJCSKL-UHFFFAOYSA-N
MW88.09 g/mol
LogP0.47
Rot. Bonds2

About ethenyl-methoxy-oxoazanium

ethenyl-methoxy-oxoazanium (PubChem CID 123704544) has the molecular formula C3H6NO2+ and a molecular weight of 88.09 g/mol. Its IUPAC name is ethenyl-methoxy-oxoazanium.

Molecular Properties

Compound Nameethenyl-methoxy-oxoazanium
PubChem CID123704544
Molecular FormulaC3H6NO2+
Molecular Weight88.09 g/mol
Exact Mass88.04
IUPAC Nameethenyl-methoxy-oxoazanium
SMILESC=C[N+](=O)OC
InChIInChI=1S/C3H6NO2/c1-3-4(5)6-2/h3H,1H2,2H3/q+1
InChIKeyDDKOAMUOLJCSKL-UHFFFAOYSA-N
XLogP0.47
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl nitrate
CID 11724
methoxy-oxo-(2-phenylethenyl)azanium
CID 123624493
calcium methyl nitrate
CID 87508998
3-methoxy-3-nitroprop-1-ene
CID 90219141
methoxymethane;prop-2-enoic acid
CID 22665045
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
1-ethenyl-3-ethoxy-4-methoxy-2-nitrobenzene
CID 91402986
methoxyethene;molecular hydrogen
CID 173062659
ethane;methoxy-methyl-methylideneazanium
CID 158329110
carbonic acid;fluoroethene;methoxymethane
CID 175504399
3-methoxy-1-nitroprop-1-ene
CID 174742846
1,4-dimethoxy-2-(2-nitroethenyl)-5-prop-2-enylsulfanylbenzene
CID 71377951

Frequently Asked Questions

What is the IUPAC name of ethenyl-methoxy-oxoazanium?
The IUPAC name of ethenyl-methoxy-oxoazanium (CID 123704544) is ethenyl-methoxy-oxoazanium.
What is the SMILES notation for ethenyl-methoxy-oxoazanium?
The canonical SMILES for ethenyl-methoxy-oxoazanium is C=C[N+](=O)OC.
What is the InChIKey of ethenyl-methoxy-oxoazanium?
The InChIKey is DDKOAMUOLJCSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO2/c1-3-4(5)6-2/h3H,1H2,2H3/q+1.
What are the key properties of ethenyl-methoxy-oxoazanium?
ethenyl-methoxy-oxoazanium has a molecular weight of 88.09 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methoxy-oxoazanium is sourced from PubChem (CID 123704544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).