[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium

C14H18NO4- — CID 163750815

IUPAC[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium
SMILES[O-][NH+]([O-])c1ccc(/C=C/COC2CCCCO2)cc1
InChIInChI=1S/C14H18NO4/c16-15(17)13-8-6-12(7-9-13)4-3-11-19-14-5-1-2-10-18-14/h3-4,6-9,14-15H,1-2,5,10-11H2/q-1/b4-3+
InChIKeyLPVMXOMWGFGDBO-ONEGZZNKSA-N
MW264.30 g/mol
LogP1.75
Rot. Bonds5

About [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium

[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium (PubChem CID 163750815) has the molecular formula C14H18NO4- and a molecular weight of 264.30 g/mol. Its IUPAC name is [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium.

Molecular Properties

Compound Name[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium
PubChem CID163750815
Molecular FormulaC14H18NO4-
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium
SMILES[O-][NH+]([O-])c1ccc(/C=C/COC2CCCCO2)cc1
InChIInChI=1S/C14H18NO4/c16-15(17)13-8-6-12(7-9-13)4-3-11-19-14-5-1-2-10-18-14/h3-4,6-9,14-15H,1-2,5,10-11H2/q-1/b4-3+
InChIKeyLPVMXOMWGFGDBO-ONEGZZNKSA-N
XLogP1.75
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]benzonitrile
CID 11356947
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
3-[(E)-3-(oxan-2-yloxy)prop-1-enyl]quinoline
CID 11346235
6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
CID 26384987
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-[(E)-hept-2-enoxy]oxane
CID 12861157
5-isocyano-7-methyl-2-[4-[3-(oxan-2-yloxy)prop-1-enyl]phenyl]-1,3-benzoxazole
CID 76640939
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium?
The IUPAC name of [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium (CID 163750815) is [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium.
What is the SMILES notation for [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium?
The canonical SMILES for [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium is [O-][NH+]([O-])c1ccc(/C=C/COC2CCCCO2)cc1.
What is the InChIKey of [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium?
The InChIKey is LPVMXOMWGFGDBO-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18NO4/c16-15(17)13-8-6-12(7-9-13)4-3-11-19-14-5-1-2-10-18-14/h3-4,6-9,14-15H,1-2,5,10-11H2/q-1/b4-3+.
What are the key properties of [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium?
[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium has a molecular weight of 264.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]-dioxidoazanium is sourced from PubChem (CID 163750815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).