1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone

C11H13NO2 — CID 71312866

IUPAC1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2ccc(O)cc2CC1C
InChIInChI=1S/C11H13NO2/c1-7-5-9-6-10(14)3-4-11(9)12(7)8(2)13/h3-4,6-7,14H,5H2,1-2H3
InChIKeyKIGIIYSBSKZYCT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds

About 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone

1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 71312866) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID71312866
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1c2ccc(O)cc2CC1C
InChIInChI=1S/C11H13NO2/c1-7-5-9-6-10(14)3-4-11(9)12(7)8(2)13/h3-4,6-7,14H,5H2,1-2H3
InChIKeyKIGIIYSBSKZYCT-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 71312866) is 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1c2ccc(O)cc2CC1C.
What is the InChIKey of 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is KIGIIYSBSKZYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-9-6-10(14)3-4-11(9)12(7)8(2)13/h3-4,6-7,14H,5H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone?
1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 71312866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).