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Basic information
- Standard SMILES
COC(=O)c1c(C)nc2[nH]ccc2c1-c1ccc2c(c1)CCCO2- InChIKey
RSRYCKJRUZZYIO-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.13174244
Names & identifiers
- Preferred name
- methyl 4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
- IUPAC
- methyl 4-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Names & synonyms
SCHEMBL14576766RSRYCKJRUZZYIO-UHFFFAOYSA-Nmethyl 4-(chroman-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 71209166
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
5 records
Compound notes
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