7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one

C11H13NO2 — CID 117282362

IUPAC7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESCC(C)(O)c1cccc2c1NC(=O)C2
InChIInChI=1S/C11H13NO2/c1-11(2,14)8-5-3-4-7-6-9(13)12-10(7)8/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyJWFARLHTQLCCES-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.41
Rot. Bonds1

About 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one

7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 117282362) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
PubChem CID117282362
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESCC(C)(O)c1cccc2c1NC(=O)C2
InChIInChI=1S/C11H13NO2/c1-11(2,14)8-5-3-4-7-6-9(13)12-10(7)8/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyJWFARLHTQLCCES-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid
CID 117293086
(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one
CID 158324948
2-(7λ3-ioda-8,9-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-yl)propan-2-ol
CID 142719693
7-(4-amino-1,2-dihydroxybutyl)-1,3-dihydroindol-2-one
CID 171881489
3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-7-yl)butanoic acid
CID 171877907
S-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-7-yl)propyl] ethanethioate
CID 170822166
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-dihydroindol-2-one
CID 154768125
3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 117364721
1,3-dihydroindol-2-one;ethane
CID 54350510
7-[3-sulfanyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-1,3-dihydroindol-2-one
CID 170803290

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one (CID 117282362) is 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one is CC(C)(O)c1cccc2c1NC(=O)C2.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is JWFARLHTQLCCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2,14)8-5-3-4-7-6-9(13)12-10(7)8/h3-5,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 117282362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).