Methyl 2,3-dihydro-2-methyl-3-oxo-1H-isoindole-1-acetate

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Basic information

CAS: 210688-69-0
Standard SMILES: COC(=O)CC1c2ccccc2C(=O)N1C
InChIKey: HWYJDMWQZNVRLM-UHFFFAOYSA-N
Molecular formula: C12H13NO3
Average molar mass: 219.24 g/mol
Monoisotopic mass: 219.08954328

Names & identifiers

Preferred name: Methyl 2,3-dihydro-2-methyl-3-oxo-1H-isoindole-1-acetate
IUPAC: methyl 2-(2-methyl-3-oxo-1H-isoindol-1-yl)acetate

Names & synonyms

SCHEMBL8174003Methyl 2,3-dihydro-2-methyl-3-oxo-1H-isoindole-1-acetateHWYJDMWQZNVRLM-UHFFFAOYSA-NDTXSID501200581210688-69-0Methyl (2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate2,3-dihydro-2-methyl-3-oxo-1H-isoindole-1-acetic acid methyl ester

Database identifiers

CAS: 210688-69-0
PubChem CID: 57321129
DTXSID: DTXSID501200581

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 303

Related reactions

1 records

New reaction record

HRID 2287992As reactantuspto-grants-2000_07

Compound notes

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