2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol

C10H10N2O4 — CID 135744213

IUPAC2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol
SMILESO/N=C(\C1=NOCCO1)c1ccccc1O
InChIInChI=1S/C10H10N2O4/c13-8-4-2-1-3-7(8)9(11-14)10-12-16-6-5-15-10/h1-4,13-14H,5-6H2/b11-9-
InChIKeyUTGGLXDYWSTLTJ-LUAWRHEFSA-N
MW222.20 g/mol
LogP0.93
Rot. Bonds2

About 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol

2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol (PubChem CID 135744213) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol
PubChem CID135744213
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol
SMILESO/N=C(\C1=NOCCO1)c1ccccc1O
InChIInChI=1S/C10H10N2O4/c13-8-4-2-1-3-7(8)9(11-14)10-12-16-6-5-15-10/h1-4,13-14H,5-6H2/b11-9-
InChIKeyUTGGLXDYWSTLTJ-LUAWRHEFSA-N
XLogP0.93
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol?
The IUPAC name of 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol (CID 135744213) is 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol.
What is the SMILES notation for 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol?
The canonical SMILES for 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol is O/N=C(\C1=NOCCO1)c1ccccc1O.
What is the InChIKey of 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol?
The InChIKey is UTGGLXDYWSTLTJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-8-4-2-1-3-7(8)9(11-14)10-12-16-6-5-15-10/h1-4,13-14H,5-6H2/b11-9-.
What are the key properties of 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol?
2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol has a molecular weight of 222.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-hydroxycarbonimidoyl]phenol is sourced from PubChem (CID 135744213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).