Basic information
- CAS
112549-38-9- Standard SMILES
CC=C1N(C)c2ccccc2C1(C)C- InChIKey
UTFNTYAQBWEAEJ-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Names & identifiers
- Preferred name
- 2-Ethylidene-1,3,3-trimethyl-2,3-dihydro-1H-indole
- IUPAC
- 2-ethylidene-1,3,3-trimethylindole
Names & synonyms
112549-38-92-Ethylidene-1,3,3-trimethyl-2,3-dihydro-1H-indoleSCHEMBL5551013SCHEMBL8425656DTXSID90710904UTFNTYAQBWEAEJ-UHFFFAOYSA-N
Database identifiers
- CAS
112549-38-9- PubChem CID
- 54371052
- DTXSID
DTXSID90710904
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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