(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one

C15H19NO — CID 135061670

IUPAC(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@@H](C2CCCCC2)c2ccccc21
InChIInChI=1S/C15H19NO/c1-16-13-10-6-5-9-12(13)14(15(16)17)11-7-3-2-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3/t14-/m0/s1
InChIKeyTUSKBQONGXRAMH-AWEZNQCLSA-N
MW229.32 g/mol
LogP3.33
Rot. Bonds1

About (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one

(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one (PubChem CID 135061670) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
PubChem CID135061670
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@@H](C2CCCCC2)c2ccccc21
InChIInChI=1S/C15H19NO/c1-16-13-10-6-5-9-12(13)14(15(16)17)11-7-3-2-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3/t14-/m0/s1
InChIKeyTUSKBQONGXRAMH-AWEZNQCLSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-3-cyclopentyl-1-methyl-3H-indol-2-one
CID 83853499
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CID 11079635
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
(3R)-1-methyl-3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-3H-indol-2-one
CID 102025482
(4aR,10bS)-4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 40534710
4,6-dimethyl-4a,10b-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 5050390
3-(1-butyl-2-oxo-3H-indol-3-yl)-1-methyl-3H-indol-2-one
CID 101259896
3-amino-1-methyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 22312029
3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 150541451
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one?
The IUPAC name of (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one (CID 135061670) is (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one?
The canonical SMILES for (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one is CN1C(=O)[C@@H](C2CCCCC2)c2ccccc21.
What is the InChIKey of (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one?
The InChIKey is TUSKBQONGXRAMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19NO/c1-16-13-10-6-5-9-12(13)14(15(16)17)11-7-3-2-4-8-11/h5-6,9-11,14H,2-4,7-8H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one?
(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one has a molecular weight of 229.32 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 135061670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).