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

C15H21NO3 — CID 175686972

IUPAC3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
SMILESCOCC(CC1(C)C(=O)N(C)c2ccccc21)OC
InChIInChI=1S/C15H21NO3/c1-15(9-11(19-4)10-18-3)12-7-5-6-8-13(12)16(2)14(15)17/h5-8,11H,9-10H2,1-4H3
InChIKeyPRVNPFZPPJAVMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds5

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

3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one (PubChem CID 175686972) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
PubChem CID175686972
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one
SMILESCOCC(CC1(C)C(=O)N(C)c2ccccc21)OC
InChIInChI=1S/C15H21NO3/c1-15(9-11(19-4)10-18-3)12-7-5-6-8-13(12)16(2)14(15)17/h5-8,11H,9-10H2,1-4H3
InChIKeyPRVNPFZPPJAVMX-UHFFFAOYSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
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-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
3-(cyclohexylmethyl)-1,3-dimethylindol-2-one
CID 102226125
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile
CID 154710024
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one?
The IUPAC name of 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one (CID 175686972) is 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one is COCC(CC1(C)C(=O)N(C)c2ccccc21)OC.
What is the InChIKey of 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one?
The InChIKey is PRVNPFZPPJAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(9-11(19-4)10-18-3)12-7-5-6-8-13(12)16(2)14(15)17/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one?
3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxypropyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 175686972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).