1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4,5,6-tetrahydro-6-methyl-, ethyl ester
Basic information
- CAS
3888-99-1- Standard SMILES
CCOC(=O)c1[nH]c2cccc3c2c1CCNC3C- InChIKey
JYYDFPIULWIIAW-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- 1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4,5,6-tetrahydro-6-methyl-, ethyl ester
- IUPAC
- ethyl 9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate
- English name
- 3,4,5,6-Tetrahydro-6-methyl-1H-azepino[5,4,3-cd]indole-2-carboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
BRN 41465193888-99-16-Methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole-2-carboxylic acid ethyl ester1H-Azepino(5,4,3-cd)indole-2-carboxylic acid, 3,4,5,6-tetrahydro-6-methyl-, ethyl esterRefChem:237405DTXSID509596553,4,5,6-Tetrahydro-6-methyl-1H-azepino[5,4,3-cd]indole-2-carboxylic acid ethyl esterEthyl 6-methyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-2-carboxylate
Database identifiers
- CAS
3888-99-1- PubChem CID
- 19767
- DTXSID
DTXSID50959655- Nikkaji
- J84.645G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…