5-(aminooxymethyl)-1,3-benzodioxol-4-ol

C8H9NO4 — CID 117279345

IUPAC5-(aminooxymethyl)-1,3-benzodioxol-4-ol
SMILESNOCc1ccc2c(c1O)OCO2
InChIInChI=1S/C8H9NO4/c9-13-3-5-1-2-6-8(7(5)10)12-4-11-6/h1-2,10H,3-4,9H2
InChIKeyFCCTYYZGWBDENI-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.51
Rot. Bonds2

About 5-(aminooxymethyl)-1,3-benzodioxol-4-ol

5-(aminooxymethyl)-1,3-benzodioxol-4-ol (PubChem CID 117279345) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 5-(aminooxymethyl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(aminooxymethyl)-1,3-benzodioxol-4-ol
PubChem CID117279345
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name5-(aminooxymethyl)-1,3-benzodioxol-4-ol
SMILESNOCc1ccc2c(c1O)OCO2
InChIInChI=1S/C8H9NO4/c9-13-3-5-1-2-6-8(7(5)10)12-4-11-6/h1-2,10H,3-4,9H2
InChIKeyFCCTYYZGWBDENI-UHFFFAOYSA-N
XLogP0.51
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.51
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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Related Compounds

5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709
5-(4-aminobutyl)-1,3-benzodioxol-4-ol
CID 117298514
O-[(7-methyl-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117278597
4-(aminooxymethyl)-6-bromo-1,3-benzodioxol-5-ol
CID 117409291
O-[(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydroxylamine
CID 117307229
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol
CID 117283406
O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
CID 117298628
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146

Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(aminooxymethyl)-1,3-benzodioxol-4-ol (CID 117279345) is 5-(aminooxymethyl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(aminooxymethyl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(aminooxymethyl)-1,3-benzodioxol-4-ol is NOCc1ccc2c(c1O)OCO2.
What is the InChIKey of 5-(aminooxymethyl)-1,3-benzodioxol-4-ol?
The InChIKey is FCCTYYZGWBDENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c9-13-3-5-1-2-6-8(7(5)10)12-4-11-6/h1-2,10H,3-4,9H2.
What are the key properties of 5-(aminooxymethyl)-1,3-benzodioxol-4-ol?
5-(aminooxymethyl)-1,3-benzodioxol-4-ol has a molecular weight of 183.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117279345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).