3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one

C14H15NO3 — CID 10399607

IUPAC3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
SMILESCN1C(=O)C(O)(C2CCCC2=O)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-11-7-3-2-5-9(11)14(18,13(15)17)10-6-4-8-12(10)16/h2-3,5,7,10,18H,4,6,8H2,1H3
InChIKeyXWJFJQSEEDAGRF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.22
Rot. Bonds1

About 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one

3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one (PubChem CID 10399607) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
PubChem CID10399607
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
SMILESCN1C(=O)C(O)(C2CCCC2=O)c2ccccc21
InChIInChI=1S/C14H15NO3/c1-15-11-7-3-2-5-9(11)14(18,13(15)17)10-6-4-8-12(10)16/h2-3,5,7,10,18H,4,6,8H2,1H3
InChIKeyXWJFJQSEEDAGRF-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
CID 98185863
(3S)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
CID 716694
(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
(3S)-3-hydroxy-1-methyl-3-[(1S,5S)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]indol-2-one
CID 7365658
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1,3-dimethyl-3-[(2-oxocyclohexyl)methyl]indol-2-one
CID 132532403
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1-methylindol-2-one
CID 695696
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7394145

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one (CID 10399607) is 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one is CN1C(=O)C(O)(C2CCCC2=O)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one?
The InChIKey is XWJFJQSEEDAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-11-7-3-2-5-9(11)14(18,13(15)17)10-6-4-8-12(10)16/h2-3,5,7,10,18H,4,6,8H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one?
3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one is sourced from PubChem (CID 10399607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).