(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one

C15H17NO3 — CID 7066270

IUPAC(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
SMILESC[C@H]1CCC[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C15H17NO3/c1-9-5-4-7-11(13(9)17)15(19)10-6-2-3-8-12(10)16-14(15)18/h2-3,6,8-9,11,19H,4-5,7H2,1H3,(H,16,18)/t9-,11-,15+/m0/s1
InChIKeyMTPZXTRTBTYMHA-CCUNJIBTSA-N
MW259.30 g/mol
LogP1.83
Rot. Bonds1

About (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one

(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one (PubChem CID 7066270) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
PubChem CID7066270
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
SMILESC[C@H]1CCC[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O
InChIInChI=1S/C15H17NO3/c1-9-5-4-7-11(13(9)17)15(19)10-6-2-3-8-12(10)16-14(15)18/h2-3,6,8-9,11,19H,4-5,7H2,1H3,(H,16,18)/t9-,11-,15+/m0/s1
InChIKeyMTPZXTRTBTYMHA-CCUNJIBTSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131
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3-(3-benzylidene-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
CID 71835394
3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 102208917
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
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(3S)-3-[(1S,5R)-5-ethyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 1240751
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(3R)-3-hydroxy-3-[(1R,5R)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-1H-indol-2-one
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CID 2864705
(3R)-3-hydroxy-3-[(2S)-6-methoxy-5-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]-1H-indol-2-one
CID 838892
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one (CID 7066270) is (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one is C[C@H]1CCC[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O.
What is the InChIKey of (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one?
The InChIKey is MTPZXTRTBTYMHA-CCUNJIBTSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-5-4-7-11(13(9)17)15(19)10-6-2-3-8-12(10)16-14(15)18/h2-3,6,8-9,11,19H,4-5,7H2,1H3,(H,16,18)/t9-,11-,15+/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one?
(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one has a molecular weight of 259.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one is sourced from PubChem (CID 7066270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).