Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Basic information
- CAS
4027-39-8- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)CC1- InChIKey
XGEZXMADLSVPPY-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
- IUPAC
- ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
- English name
- 1,4,5,6-Tetrahydro-2-methyl-6-oxo-3-pyridinecarboxylic acid ethyl ester
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate4027-39-8ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylateNicotinic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester1,4,5,6-Tetrahydro-2-methyl-6-oxo-3-pyridinecarboxylic acid ethyl esterSCHEMBL4248485DTXSID50960665EAA02739CCG-520823-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl esterAKOS006275316ETHYL 1,4,5,6-TETRAHYDRO-2-METHYL-6-OXOPYRIDINE-3-CARBOXYLATE
Show more names
2-Methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid ethyl ester
AB070056-methyl-5-carbethoxy-3,4-dihydropyridoneDB-307962CS-0247002EN300-352305SR-01000508674SR-01000508674-1SR-01000508674-2
Database identifiers
- CAS
4027-39-8- PubChem CID
- 586559
- DTXSID
DTXSID50960665- Nikkaji
- J99.419G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
Chemical ClassesStimulant
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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