6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile

C11H12N2O3 — CID 62586591

IUPAC6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(NCCO)COc2cc(O)ccc21
InChIInChI=1S/C11H12N2O3/c12-6-11(13-3-4-14)7-16-10-5-8(15)1-2-9(10)11/h1-2,5,13-15H,3-4,7H2
InChIKeyIJPOUTWZKOMOLY-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.09
Rot. Bonds3

About 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile

6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile (PubChem CID 62586591) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile
PubChem CID62586591
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile
SMILESN#CC1(NCCO)COc2cc(O)ccc21
InChIInChI=1S/C11H12N2O3/c12-6-11(13-3-4-14)7-16-10-5-8(15)1-2-9(10)11/h1-2,5,13-15H,3-4,7H2
InChIKeyIJPOUTWZKOMOLY-UHFFFAOYSA-N
XLogP0.09
TPSA85.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile?
The IUPAC name of 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile (CID 62586591) is 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile?
The canonical SMILES for 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile is N#CC1(NCCO)COc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile?
The InChIKey is IJPOUTWZKOMOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-6-11(13-3-4-14)7-16-10-5-8(15)1-2-9(10)11/h1-2,5,13-15H,3-4,7H2.
What are the key properties of 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile?
6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 62586591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).