6-methoxy-5-methyl-2,3-dihydroisoindol-1-one

C10H11NO2 — CID 66545183

IUPAC6-methoxy-5-methyl-2,3-dihydroisoindol-1-one
SMILESCOc1cc2c(cc1C)CNC2=O
InChIInChI=1S/C10H11NO2/c1-6-3-7-5-11-10(12)8(7)4-9(6)13-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyBTWSJGZHCFLRDH-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.25
Rot. Bonds1

About 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one

6-methoxy-5-methyl-2,3-dihydroisoindol-1-one (PubChem CID 66545183) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-methoxy-5-methyl-2,3-dihydroisoindol-1-one
PubChem CID66545183
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-methoxy-5-methyl-2,3-dihydroisoindol-1-one
SMILESCOc1cc2c(cc1C)CNC2=O
InChIInChI=1S/C10H11NO2/c1-6-3-7-5-11-10(12)8(7)4-9(6)13-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyBTWSJGZHCFLRDH-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-5-methyl-2,3-dihydroisoindol-1-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

Zinnimidine
CID 442878
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
3-methoxy-2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindol-1-one
CID 3653878
7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid propylamide
CID 9947925
(R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one
CID 16115517
(R)-9-methoxy-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 16115652
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethylbenzamide
CID 925269
5-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 22064719
4-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 11672718
5-Methoxy-1H-isoindole-1,3(2H)-dione
CID 13152719
6-Methoxy-2,3-dihydro-1H-isoindol-1-one
CID 14005623
N-[(2-Methoxyphenyl)methyl]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
CID 5157140

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one (CID 66545183) is 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one is COc1cc2c(cc1C)CNC2=O.
What is the InChIKey of 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is BTWSJGZHCFLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-3-7-5-11-10(12)8(7)4-9(6)13-2/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one?
6-methoxy-5-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 66545183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).