diethyl 2-(1H-indol-3-ylmethyl)propanedioate
Basic information
- CAS
10184-98-2- Standard SMILES
CCOC(=O)C(Cc1c[nH]c2ccccc12)C(=O)OCC- InChIKey
NRILVVVGVUMKEK-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- diethyl 2-(1H-indol-3-ylmethyl)propanedioate
- IUPAC
- diethyl 2-(1H-indol-3-ylmethyl)propanedioate
Names & synonyms
10184-98-2diethyl 2-(1H-indol-3-ylmethyl)propanedioateDiethyl 2-((1H-indol-3-yl)methyl)malonate1,3-diethyl 2-[(1H-indol-3-yl)methyl]propanedioateNSC52498SCHEMBL9449637DTXSID30287781NSC-52498DS-000439Diethyl [(1H-indol-3-yl)methyl]propanedioatePropanedioic acid, 2-(1H-indol-3-ylmethyl)-, 1,3-diethyl ester
Database identifiers
- CAS
10184-98-2- PubChem CID
- 243184
- DTXSID
DTXSID30287781- Nikkaji
- J1.557.497F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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