ethyl 3-{[(E)-(diethylamino)methylidene]amino}-5-methyl-1H-indole-2-carboxylate
Basic information
- CAS
371935-80-7- Standard SMILES
CCOC(=O)c1[nH]c2ccc(C)cc2c1N=CN(CC)CC- InChIKey
HWVIQRRKUPKQBD-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.17902698
Names & identifiers
- Preferred name
- ethyl 3-{[(E)-(diethylamino)methylidene]amino}-5-methyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 3-(diethylaminomethylideneamino)-5-methyl-1H-indole-2-carboxylate
Names & synonyms
MLS000079391Oprea1_062008CHEMBL3214015DTXSID701147995HMS2321M16STK721877AKOS005524088ethyl 3-{[(E)-(diethylamino)methylidene]amino}-5-methyl-1H-indole-2-carboxylateNCGC00020969-01NCGC00020969-02371935-80-7SMR000039144
Show more names
Ethyl 3-[[(diethylamino)methylene]amino]-5-methyl-1H-indole-2-carboxylate(E)-ethyl 3-(((diethylamino)methylene)amino)-5-methyl-1H-indole-2-carboxylateEthyl 3-{[(diethylamino)methylidene]amino}-5-methyl-1H-indole-2-carboxylate
Database identifiers
- CAS
371935-80-7- PubChem CID
- 658244
- DTXSID
DTXSID701147995- ChEMBL
CHEMBL3214015
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
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Related reactions
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Compound notes
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