3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one

C11H13NO2 — CID 61361238

IUPAC3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc2c(c1)C(O)C(=O)N2
InChIInChI=1S/C11H13NO2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9/h3-6,10,13H,1-2H3,(H,12,14)
InChIKeyKIZUPKULOKYAHU-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.80
Rot. Bonds1

About 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one

3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 61361238) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID61361238
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc2c(c1)C(O)C(=O)N2
InChIInChI=1S/C11H13NO2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9/h3-6,10,13H,1-2H3,(H,12,14)
InChIKeyKIZUPKULOKYAHU-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
3-hydroxy-5-nitro-1,3-dihydroindol-2-one
CID 61361847
3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 82172223
3-hydroxy-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 63814020
5-chloro-3-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43098124
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82172222
3-hydroxy-6-(2-methylbutylsulfanyl)-1,3-dihydroindol-2-one
CID 107762167
2-ethyl-6-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82177336
5-bromo-3-hydroxy-6-(3-hydroxy-2-methylpropyl)sulfanyl-1,3-dihydroindol-2-one
CID 79343022
(3R)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
CID 98284984

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one (CID 61361238) is 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one is CC(C)c1ccc2c(c1)C(O)C(=O)N2.
What is the InChIKey of 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is KIZUPKULOKYAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9/h3-6,10,13H,1-2H3,(H,12,14).
What are the key properties of 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one?
3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).