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

C11H15NO4 — CID 117323158

IUPACN-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine
SMILESCOCc1cc2c(cc1CNO)OCCO2
InChIInChI=1S/C11H15NO4/c1-14-7-9-5-11-10(15-2-3-16-11)4-8(9)6-12-13/h4-5,12-13H,2-3,6-7H2,1H3
InChIKeyXSJIOGPQJIDDDP-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.08
Rot. Bonds4

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

N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine (PubChem CID 117323158) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine
PubChem CID117323158
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine
SMILESCOCc1cc2c(cc1CNO)OCCO2
InChIInChI=1S/C11H15NO4/c1-14-7-9-5-11-10(15-2-3-16-11)4-8(9)6-12-13/h4-5,12-13H,2-3,6-7H2,1H3
InChIKeyXSJIOGPQJIDDDP-UHFFFAOYSA-N
XLogP1.08
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine?
The IUPAC name of N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine (CID 117323158) is N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine is COCc1cc2c(cc1CNO)OCCO2.
What is the InChIKey of N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine?
The InChIKey is XSJIOGPQJIDDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-7-9-5-11-10(15-2-3-16-11)4-8(9)6-12-13/h4-5,12-13H,2-3,6-7H2,1H3.
What are the key properties of N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine?
N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine has a molecular weight of 225.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]hydroxylamine is sourced from PubChem (CID 117323158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).