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Basic information
- Standard SMILES
COC(=O)N1C=C(C=O)CC([C@@H]2CCCN2C)=C1- InChIKey
ALSVXYQTCANRCJ-LBPRGKRZSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
Names & identifiers
- Preferred name
- (S)-3-formyl-5-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylic Acid Methyl Ester
- IUPAC
- methyl 3-formyl-5-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL4949930ALSVXYQTCANRCJ-LBPRGKRZSA-N(S)-3-formyl-5- (1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylic acid methyl ester(S)-3-formyl-5-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 11615761
- Nikkaji
- J2.279.321G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
9 records
Compound notes
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