O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine

C11H15NO4 — CID 117323149

IUPACO-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
SMILESCOCc1cc2c(cc1CON)OCCO2
InChIInChI=1S/C11H15NO4/c1-13-6-8-4-10-11(15-3-2-14-10)5-9(8)7-16-12/h4-5H,2-3,6-7,12H2,1H3
InChIKeyLQFPETPEOTUCMP-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.99
Rot. Bonds4

About O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine

O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine (PubChem CID 117323149) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
PubChem CID117323149
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameO-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
SMILESCOCc1cc2c(cc1CON)OCCO2
InChIInChI=1S/C11H15NO4/c1-13-6-8-4-10-11(15-3-2-14-10)5-9(8)7-16-12/h4-5H,2-3,6-7,12H2,1H3
InChIKeyLQFPETPEOTUCMP-UHFFFAOYSA-N
XLogP0.99
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine?
The IUPAC name of O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine (CID 117323149) is O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine is COCc1cc2c(cc1CON)OCCO2.
What is the InChIKey of O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine?
The InChIKey is LQFPETPEOTUCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-13-6-8-4-10-11(15-3-2-14-10)5-9(8)7-16-12/h4-5H,2-3,6-7,12H2,1H3.
What are the key properties of O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine?
O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine has a molecular weight of 225.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine is sourced from PubChem (CID 117323149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).