2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone

C12H13NO4 — CID 117341756

IUPAC2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESNCC(=O)c1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C12H13NO4/c13-5-8(14)9-6-1-3-17-12(6)10(15)7-2-4-16-11(7)9/h15H,1-5,13H2
InChIKeyQFLTZNPBUKHDQP-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.40
Rot. Bonds2

About 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone

2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone (PubChem CID 117341756) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
PubChem CID117341756
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
SMILESNCC(=O)c1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C12H13NO4/c13-5-8(14)9-6-1-3-17-12(6)10(15)7-2-4-16-11(7)9/h15H,1-5,13H2
InChIKeyQFLTZNPBUKHDQP-UHFFFAOYSA-N
XLogP0.40
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
The IUPAC name of 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone (CID 117341756) is 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone is NCC(=O)c1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
The InChIKey is QFLTZNPBUKHDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c13-5-8(14)9-6-1-3-17-12(6)10(15)7-2-4-16-11(7)9/h15H,1-5,13H2.
What are the key properties of 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone?
2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone has a molecular weight of 235.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone is sourced from PubChem (CID 117341756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).