4-methoxy-7-methyl-2,3-dihydroisoindol-1-one

C10H11NO2 — CID 130064642

IUPAC4-methoxy-7-methyl-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(C)c2c1CNC2=O
InChIInChI=1S/C10H11NO2/c1-6-3-4-8(13-2)7-5-11-10(12)9(6)7/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyXGINMEGZUXZUGY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.25
Rot. Bonds1

About 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one

4-methoxy-7-methyl-2,3-dihydroisoindol-1-one (PubChem CID 130064642) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-methoxy-7-methyl-2,3-dihydroisoindol-1-one
PubChem CID130064642
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-methoxy-7-methyl-2,3-dihydroisoindol-1-one
SMILESCOc1ccc(C)c2c1CNC2=O
InChIInChI=1S/C10H11NO2/c1-6-3-4-8(13-2)7-5-11-10(12)9(6)7/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeyXGINMEGZUXZUGY-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

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Related Compounds

methyl 7-methyl-1-oxo-2,3-dihydroisoindole-4-carboxylate
CID 162342423
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate
CID 143189497
5-methoxy-3-oxo-1,2-dihydroisoindole-4-carboxylic acid
CID 178110016
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CID 83217600
6-bromo-1-methoxy-4-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 82024134
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
4,5-dimethyl-2,3-dihydroisoindol-1-one
CID 57076044
7-methoxy-4-(1-methylindazol-6-yl)-2,3-dihydroisoindol-1-one
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7-amino-4-(4-methoxyphenyl)-2,3-dihydroisoindol-1-one
CID 122639239

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one (CID 130064642) is 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one is COc1ccc(C)c2c1CNC2=O.
What is the InChIKey of 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is XGINMEGZUXZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-3-4-8(13-2)7-5-11-10(12)9(6)7/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one?
4-methoxy-7-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 4-methoxy-7-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130064642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).