3-(cyclohexylmethyl)-1,3-dimethylindol-2-one

C17H23NO — CID 102226125

IUPAC3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C17H23NO/c1-17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(2)16(17)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyODBRRRPZWVMYBS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.89
Rot. Bonds2

About 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one

3-(cyclohexylmethyl)-1,3-dimethylindol-2-one (PubChem CID 102226125) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
PubChem CID102226125
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CC2CCCCC2)c2ccccc21
InChIInChI=1S/C17H23NO/c1-17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(2)16(17)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyODBRRRPZWVMYBS-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-3-[(2-oxocyclohexyl)methyl]indol-2-one
CID 132532403
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
4-(cyclohexylmethyl)-4-methyl-2-propylisoquinoline-1,3-dione
CID 138982712
2-benzyl-4-(cyclohexylmethyl)-4-methylisoquinoline-1,3-dione
CID 138982714
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
CID 175686972

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one (CID 102226125) is 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one is CN1C(=O)C(C)(CC2CCCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one?
The InChIKey is ODBRRRPZWVMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(2)16(17)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one?
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one has a molecular weight of 257.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 102226125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).