4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one

C11H13NO2 — CID 117282361

IUPAC4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESCC(C)(O)c1cccc2c1CC(=O)N2
InChIInChI=1S/C11H13NO2/c1-11(2,14)8-4-3-5-9-7(8)6-10(13)12-9/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyCPQXDJVFLORGBI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.41
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one

4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 117282361) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
PubChem CID117282361
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
SMILESCC(C)(O)c1cccc2c1CC(=O)N2
InChIInChI=1S/C11H13NO2/c1-11(2,14)8-4-3-5-9-7(8)6-10(13)12-9/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyCPQXDJVFLORGBI-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-[bis(1,1-dihydroxypropyl)amino]-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
CID 91097076
4-[2-(dipropylamino)-1,1-dihydroxyethyl]-1,3-dihydroindol-2-one
CID 91431207
7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282362
4-propan-2-yl-1,3-dihydroindol-2-one
CID 20698714
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol
CID 91279377
3-(2-oxo-1,3-dihydroindol-4-yl)butanal
CID 117291451
2-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)propan-2-ol
CID 84673552
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
4-(3-chlorophenyl)-1,3-dihydroindol-2-one
CID 22561798

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one (CID 117282361) is 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one is CC(C)(O)c1cccc2c1CC(=O)N2.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is CPQXDJVFLORGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2,14)8-4-3-5-9-7(8)6-10(13)12-9/h3-5,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one?
4-(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 4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 117282361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).