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

C15H17NO2 — CID 102208917

IUPAC3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
SMILESCC1([C@H]2CCCCC2=O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(11-7-3-5-9-13(11)17)10-6-2-4-8-12(10)16-14(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,16,18)/t11-,15?/m0/s1
InChIKeyYTCFGEIQYNCMII-VPHXOMNUSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds1

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

3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one (PubChem CID 102208917) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
PubChem CID102208917
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
SMILESCC1([C@H]2CCCCC2=O)C(=O)Nc2ccccc21
InChIInChI=1S/C15H17NO2/c1-15(11-7-3-5-9-13(11)17)10-6-2-4-8-12(10)16-14(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,16,18)/t11-,15?/m0/s1
InChIKeyYTCFGEIQYNCMII-VPHXOMNUSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-3-[(1R)-2-oxocycloheptyl]-1H-indol-2-one
CID 678131
(3S)-3-hydroxy-3-[(1R,3S)-3-methyl-2-oxocyclohexyl]-1H-indol-2-one
CID 7066270
(3S)-5-chloro-3-hydroxy-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 46209599
(3R)-5-chloro-3-hydroxy-3-[(1S)-2-oxocyclohexyl]-1H-indol-2-one
CID 132583152
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 42561945
(3S)-3-[(1S,5R)-5-ethyl-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one
CID 1240751
2'-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 59069770
(3R)-3-hydroxy-3-[(1R,5R)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]-1H-indol-2-one
CID 1349448
3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
CID 83034122
3-(3-benzylidene-2-oxocyclohexyl)-3-hydroxy-1H-indol-2-one
CID 71835394
(3S,3'aR,9'aR,9'bS)-spiro[1H-indole-3,4'-3a,5,6,7,8,9,9a,9b-octahydropyrrolo[3,4-a]indolizin-5-ium]-1',2,3'-trione
CID 7335157
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one?
The IUPAC name of 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one (CID 102208917) is 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one.
What is the SMILES notation for 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one?
The canonical SMILES for 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one is CC1([C@H]2CCCCC2=O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one?
The InChIKey is YTCFGEIQYNCMII-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(11-7-3-5-9-13(11)17)10-6-2-4-8-12(10)16-14(15)18/h2,4,6,8,11H,3,5,7,9H2,1H3,(H,16,18)/t11-,15?/m0/s1.
What are the key properties of 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one?
3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one is sourced from PubChem (CID 102208917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).