Basic information
- Standard SMILES
CC1(CN2Cc3nc(Cl)ccc3C2=O)COC1- InChIKey
GOLDBJHSHUUOLW-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 2-chloro-6-[(3-methyloxetan-3-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
- IUPAC
- 2-chloro-6-[(3-methyloxetan-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
Names & synonyms
SCHEMBL1673844GOLDBJHSHUUOLW-UHFFFAOYSA-N2-chloro-6-[(3-methyloxetan-3-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Database identifiers
- PubChem CID
- 58216660
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
2 records
Compound notes
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