2-Propen-1-yl 3-(hydroxy-2-pyridinylmethyl)-1H-indole-2-carboxylate
Basic information
- CAS
885953-95-7- Standard SMILES
C=CCOC(=O)c1[nH]c2ccccc2c1C(O)c1ccccn1- InChIKey
NGXYUVDEQFFSNM-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Names & identifiers
- Preferred name
- 2-Propen-1-yl 3-(hydroxy-2-pyridinylmethyl)-1H-indole-2-carboxylate
- IUPAC
- prop-2-enyl 3-[hydroxy(pyridin-2-yl)methyl]-1H-indole-2-carboxylate
Names & synonyms
DTXSID9011618022-Propen-1-yl 3-(hydroxy-2-pyridinylmethyl)-1H-indole-2-carboxylate885953-95-7Prop-2-en-1-yl 3-[hydroxy(pyridin-2-yl)methyl]-1H-indole-2-carboxylate
Database identifiers
- CAS
885953-95-7- PubChem CID
- 4179356
- DTXSID
DTXSID901161802
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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