Basic information
- CAS
39191-73-6- Standard SMILES
CNN1Cc2ccccc2CC1=O- InChIKey
LPMXHTSWSHVNSG-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 1,4-dihydro-2-(methylamino)-
- IUPAC
- 2-(methylamino)-1,4-dihydroisoquinolin-3-one
Names & synonyms
3(2H)-ISOQUINOLINONE, 1,4-DIHYDRO-2-(METHYLAMINO)-39191-73-6BRN 14581671,4-Dihydro-2-methylaminoisoquinolin-3(2H)-one2-(Methylamino)-1,4-dihydro-3(2H)-isoquinolinoneDTXSID60192435RefChem:269458DTXCID701149262-(methylamino)-1,4-dihydroisoquinolin-3-one2-(Methylamino)-1,4-dihydroisoquinolin-3(2H)-one
Database identifiers
- CAS
39191-73-6- PubChem CID
- 38231
- DTXSID
DTXSID60192435- Nikkaji
- J68.860F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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