1-(5-hydroxy-1-methylindol-3-yl)ethanone

C11H11NO2 — CID 23552929

IUPAC1-(5-hydroxy-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C11H11NO2/c1-7(13)10-6-12(2)11-4-3-8(14)5-9(10)11/h3-6,14H,1-2H3
InChIKeyHZVFYDUWUJGMNB-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.09
Rot. Bonds1

About 1-(5-hydroxy-1-methylindol-3-yl)ethanone

1-(5-hydroxy-1-methylindol-3-yl)ethanone (PubChem CID 23552929) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(5-hydroxy-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-1-methylindol-3-yl)ethanone
PubChem CID23552929
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(5-hydroxy-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1cn(C)c2ccc(O)cc12
InChIInChI=1S/C11H11NO2/c1-7(13)10-6-12(2)11-4-3-8(14)5-9(10)11/h3-6,14H,1-2H3
InChIKeyHZVFYDUWUJGMNB-UHFFFAOYSA-N
XLogP2.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155
1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanone
CID 11171971
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
1-(1-methyl-6-methylsulfanylindol-3-yl)ethanone
CID 83917541
3-acetyl-1-methylindole-6-carboxylic acid
CID 59337680
1,5-dimethylindole-3-carboxamide
CID 119084556
6-hydroxy-N,1-dimethylindole-3-carboxamide
CID 23572873
1-(1-methyl-6-methylsulfonylindol-3-yl)ethanone
CID 83919780
3-(1-fluoroethyl)-1-methylindol-5-ol
CID 84664637
1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone
CID 90041935
5-tert-butyl-1-methylindole-3-carboxylic acid
CID 82278768
N,1,5-trimethylindole-3-carboxamide
CID 25149961

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-1-methylindol-3-yl)ethanone (CID 23552929) is 1-(5-hydroxy-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-1-methylindol-3-yl)ethanone is CC(=O)c1cn(C)c2ccc(O)cc12.
What is the InChIKey of 1-(5-hydroxy-1-methylindol-3-yl)ethanone?
The InChIKey is HZVFYDUWUJGMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)10-6-12(2)11-4-3-8(14)5-9(10)11/h3-6,14H,1-2H3.
What are the key properties of 1-(5-hydroxy-1-methylindol-3-yl)ethanone?
1-(5-hydroxy-1-methylindol-3-yl)ethanone has a molecular weight of 189.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 23552929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).