1-(3-hydroxy-1-methylindol-2-yl)ethanone

C11H11NO2 — CID 4712191

IUPAC1-(3-hydroxy-1-methylindol-2-yl)ethanone
SMILESCC(=O)c1c(O)c2ccccc2n1C
InChIInChI=1S/C11H11NO2/c1-7(13)10-11(14)8-5-3-4-6-9(8)12(10)2/h3-6,14H,1-2H3
InChIKeySCANRIWJROTDDZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.09
Rot. Bonds1

About 1-(3-hydroxy-1-methylindol-2-yl)ethanone

1-(3-hydroxy-1-methylindol-2-yl)ethanone (PubChem CID 4712191) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(3-hydroxy-1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-1-methylindol-2-yl)ethanone
PubChem CID4712191
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(3-hydroxy-1-methylindol-2-yl)ethanone
SMILESCC(=O)c1c(O)c2ccccc2n1C
InChIInChI=1S/C11H11NO2/c1-7(13)10-11(14)8-5-3-4-6-9(8)12(10)2/h3-6,14H,1-2H3
InChIKeySCANRIWJROTDDZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1-methylindol-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-1-methylindol-2-yl)ethanone (CID 4712191) is 1-(3-hydroxy-1-methylindol-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-1-methylindol-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-1-methylindol-2-yl)ethanone is CC(=O)c1c(O)c2ccccc2n1C.
What is the InChIKey of 1-(3-hydroxy-1-methylindol-2-yl)ethanone?
The InChIKey is SCANRIWJROTDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)10-11(14)8-5-3-4-6-9(8)12(10)2/h3-6,14H,1-2H3.
What are the key properties of 1-(3-hydroxy-1-methylindol-2-yl)ethanone?
1-(3-hydroxy-1-methylindol-2-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-(3-hydroxy-1-methylindol-2-yl)ethanone is sourced from PubChem (CID 4712191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).