Basic information
- CAS
1428139-54-1- Standard SMILES
COC(=O)c1[nH]c2c(c1N)C(=O)CC(c1ccc(C)o1)C2- InChIKey
VJUHBROJSIJNSP-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.111007
Names & identifiers
- Preferred name
- methyl 3-amino-6-(5-methyl-2-furyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
- IUPAC
- methyl 3-amino-6-(5-methylfuran-2-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
- English name
- methyl 3-amino-6-(5-methyl-2-furyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
- Molecular formula
- C15H16N2O4
- Molecular weight
- 288.3
Names & synonyms
1428139-54-1methyl 3-amino-6-(5-methyl-2-furyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylatemethyl 3-amino-6-(5-methylfuran-2-yl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylatemethyl 3-amino-6-(5-methylfuran-2-yl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylateMFCD27937018AKOS015997568LS-09525methyl 3-amino-6-(5-methyl-2-furyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylatemethyl3-amino-6-(5-methyl-2-furyl)-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-6-(5-methyl-2-furanyl)-4-oxo-, methyl ester
Database identifiers
- CAS
1428139-54-1- PubChem CID
- 71668742
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 530.4 · 530.4±50.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.40(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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