1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone

C10H9NO3 — CID 143831160

IUPAC1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccc(O)cc2c1N
InChIInChI=1S/C10H9NO3/c1-5(12)10-9(11)7-4-6(13)2-3-8(7)14-10/h2-4,13H,11H2,1H3
InChIKeyWVCYUSXHWDXACV-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone

1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone (PubChem CID 143831160) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
PubChem CID143831160
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccc(O)cc2c1N
InChIInChI=1S/C10H9NO3/c1-5(12)10-9(11)7-4-6(13)2-3-8(7)14-10/h2-4,13H,11H2,1H3
InChIKeyWVCYUSXHWDXACV-UHFFFAOYSA-N
XLogP1.92
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-hydroxy-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 142811985
(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one
CID 23111220
ethyl 2-(5-hydroxy-3-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072729
8-aminodibenzofuran-2-ol
CID 22664086
1-(5-hydroxy-3-methyl-1-benzofuran-2-yl)butan-1-one
CID 86140540
1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
CID 82372665
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
3-amino-5-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 135358335
1-(3-amino-6-methylfuro[2,3-b]pyridin-2-yl)ethanone
CID 59928316
actinium;8-methyldibenzofuran-2-ol
CID 18739071
ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone (CID 143831160) is 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2ccc(O)cc2c1N.
What is the InChIKey of 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone?
The InChIKey is WVCYUSXHWDXACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5(12)10-9(11)7-4-6(13)2-3-8(7)14-10/h2-4,13H,11H2,1H3.
What are the key properties of 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone?
1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone has a molecular weight of 191.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 143831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).