8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

C11H13NO4 — CID 117319304

IUPAC8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESONCc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C11H13NO4/c13-9-7-2-4-15-10(7)8(5-12-14)6-1-3-16-11(6)9/h12-14H,1-5H2
InChIKeyHQQZPZQHSYIUNP-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.74
Rot. Bonds2

About 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117319304) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117319304
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESONCc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C11H13NO4/c13-9-7-2-4-15-10(7)8(5-12-14)6-1-3-16-11(6)9/h12-14H,1-5H2
InChIKeyHQQZPZQHSYIUNP-UHFFFAOYSA-N
XLogP0.74
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.74
H-Bond Donors ≤ 53
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 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117319304) is 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is ONCc1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is HQQZPZQHSYIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9-7-2-4-15-10(7)8(5-12-14)6-1-3-16-11(6)9/h12-14H,1-5H2.
What are the key properties of 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 223.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(hydroxyamino)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117319304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).