N-methylisoindoline-5-carboxamide
Basic information
- CAS
137453-27-1- Standard SMILES
CNC(=O)c1ccc2c(c1)CNC2- InChIKey
KQXJFSLXGQBRFO-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- N-methylisoindoline-5-carboxamide
- IUPAC
- N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
- English name
- N-Methylisoindoline-5-carboxaMide
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
N-methylisoindoline-5-carboxamide137453-27-1N-METHYL-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXAMIDESCHEMBL29008566DTXSID901241159DB-3090892,3-Dihydro-N-methyl-1H-isoindole-5-carboxamide1H-Isoindole-5-carboxamide, 2,3-dihydro-N-methyl-2,3-Dihydro-1H-isoindole-5-carboxylic acid methylamide
Database identifiers
- CAS
137453-27-1- PubChem CID
- 71304570
- DTXSID
DTXSID901241159
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 316.6 · 316.6±42.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 15.45 · 15.45±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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