Basic information
- CAS
7356-42-5- Standard SMILES
C[C@@H]1Nc2ccccc2[C@H]1C- InChIKey
NNPSOAOENINXMR-YUMQZZPRSA-N- Molecular formula
- C10H13N
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.10479942
Names & identifiers
- Preferred name
- (2S,3R)-2,3-dimethyl-2,3-dihydro-1H-indole
- IUPAC
- (2S,3R)-2,3-dimethyl-2,3-dihydro-1H-indole
Names & synonyms
NSC62099SCHEMBL7571638NSC-62099
Database identifiers
- CAS
7356-42-5- PubChem CID
- 247474
- Nikkaji
- J2.393.956H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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