[3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate

C9H11NO5 — CID 89268115

IUPAC[3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate
SMILESO=COCc1cccc(CON(O)O)c1
InChIInChI=1S/C9H11NO5/c11-7-14-5-8-2-1-3-9(4-8)6-15-10(12)13/h1-4,7,12-13H,5-6H2
InChIKeyCLRAZQBGMLPYQR-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.87
Rot. Bonds6

About [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate

[3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate (PubChem CID 89268115) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate.

Molecular Properties

Compound Name[3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate
PubChem CID89268115
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name[3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate
SMILESO=COCc1cccc(CON(O)O)c1
InChIInChI=1S/C9H11NO5/c11-7-14-5-8-2-1-3-9(4-8)6-15-10(12)13/h1-4,7,12-13H,5-6H2
InChIKeyCLRAZQBGMLPYQR-UHFFFAOYSA-N
XLogP0.87
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate?
The IUPAC name of [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate (CID 89268115) is [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate.
What is the SMILES notation for [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate?
The canonical SMILES for [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate is O=COCc1cccc(CON(O)O)c1.
What is the InChIKey of [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate?
The InChIKey is CLRAZQBGMLPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c11-7-14-5-8-2-1-3-9(4-8)6-15-10(12)13/h1-4,7,12-13H,5-6H2.
What are the key properties of [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate?
[3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate has a molecular weight of 213.19 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dihydroxyamino)oxymethyl]phenyl]methyl formate is sourced from PubChem (CID 89268115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).