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Basic information
- Standard SMILES
CN1CC=C(C#CC(C)(C)O)CC1.O=C(O)C(=O)O- InChIKey
KPDXSLWWIZQVKB-UHFFFAOYSA-N- Molecular formula
- C13H19NO5
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.12632271
Names & identifiers
- Preferred name
- 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-ol;oxalic acid
- IUPAC
- 2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-ol;oxalic acid
Names & synonyms
CHEMBL1994533NSC-683433
Database identifiers
- PubChem CID
- 388477
- ChEMBL
CHEMBL1994533
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
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Compound notes
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