Basic information
- CAS
89170-79-6- Standard SMILES
CN1C(=O)C2CCCc3cccc1c32- InChIKey
LLWVQXHVPIIHDZ-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- Benz(cd)indol-2(1H)-one, 2a,3,4,5-tetrahydro-1-methyl-
- IUPAC
- 1-methyl-2a,3,4,5-tetrahydrobenzo[cd]indol-2-one
Names & synonyms
2a,3,4,5-Tetrahydro-1-methylbenz(cd)indol-2(1H)-one89170-79-6BRN 44255111-Methyl-2a,3,4,5-tetrahydrobenz(c,d)indol-2(1H)-oneBenz(cd)indol-2(1H)-one, 2a,3,4,5-tetrahydro-1-methyl-RefChem:3210621-methyl-2a,3,4,5-tetrahydrobenzo[cd]indol-2-oneSCHEMBL6157747LLWVQXHVPIIHDZ-UHFFFAOYSA-NDTXSID3010086861-Methyl-2a,3,4,5-tetrahydro-1H-benz[cd]indol-2-one1-Methyl-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
Show more names
1-Methyl-2a,3,4,5-tetrahydrobenzo[cd]indol-2(1H)-one1-Methyl-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H) -one
Database identifiers
- CAS
89170-79-6- PubChem CID
- 11008652
- DTXSID
DTXSID301008686- Nikkaji
- J1.793.230F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Related reactions
5 records
Compound notes
Loading…