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

C11H13NO3 — CID 117295593

IUPAC8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNCc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C11H13NO3/c12-5-8-6-1-3-15-11(6)9(13)7-2-4-14-10(7)8/h13H,1-5,12H2
InChIKeyHRDKJGHOGFAPOM-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.72
Rot. Bonds1

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

8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117295593) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117295593
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNCc1c2c(c(O)c3c1OCC3)OCC2
InChIInChI=1S/C11H13NO3/c12-5-8-6-1-3-15-11(6)9(13)7-2-4-14-10(7)8/h13H,1-5,12H2
InChIKeyHRDKJGHOGFAPOM-UHFFFAOYSA-N
XLogP0.72
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117295593) is 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is NCc1c2c(c(O)c3c1OCC3)OCC2.
What is the InChIKey of 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is HRDKJGHOGFAPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-5-8-6-1-3-15-11(6)9(13)7-2-4-14-10(7)8/h13H,1-5,12H2.
What are the key properties of 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 207.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117295593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).