(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one

C16H19NO3 — CID 98185863

IUPAC(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
SMILESC[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1
InChIInChI=1S/C16H19NO3/c1-10-7-8-14(18)12(9-10)16(20)11-5-3-4-6-13(11)17(2)15(16)19/h3-6,10,12,20H,7-9H2,1-2H3/t10-,12-,16+/m1/s1
InChIKeyKFAODQBIWKOKBZ-SIVJFFJCSA-N
MW273.33 g/mol
LogP1.86
Rot. Bonds1

About (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one

(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one (PubChem CID 98185863) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
PubChem CID98185863
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
SMILESC[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1
InChIInChI=1S/C16H19NO3/c1-10-7-8-14(18)12(9-10)16(20)11-5-3-4-6-13(11)17(2)15(16)19/h3-6,10,12,20H,7-9H2,1-2H3/t10-,12-,16+/m1/s1
InChIKeyKFAODQBIWKOKBZ-SIVJFFJCSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one
CID 716694
3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
CID 10399607
(3S)-3-hydroxy-1-methyl-3-[(1S,5S)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]indol-2-one
CID 7365658
(3S)-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 723557
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3R)-3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one
CID 100824232
3-(5-tert-butyl-2-oxocyclohexyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 17138860
(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
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(1S,5R)-5-(2-methylbutan-2-yl)-2-oxocyclohexyl]indol-2-one
CID 42587326
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one (CID 98185863) is (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one is C[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one?
The InChIKey is KFAODQBIWKOKBZ-SIVJFFJCSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-7-8-14(18)12(9-10)16(20)11-5-3-4-6-13(11)17(2)15(16)19/h3-6,10,12,20H,7-9H2,1-2H3/t10-,12-,16+/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one?
(3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one has a molecular weight of 273.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[(1S,5R)-5-methyl-2-oxocyclohexyl]indol-2-one is sourced from PubChem (CID 98185863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).