Basic information
- CAS
65824-05-7- Standard SMILES
CC(C)n1cccc(C=O)c1=O- InChIKey
SHFWEJLKGNVTDA-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- N-Isopropyl-3-formyl-2(1H)-pyridone
- IUPAC
- 2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
- English name
- 3-Pyridinecarboxaldehyde,1,2-dihydro-1-(1-methylethyl)-2-oxo-(9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
65824-05-7N-Isopropyl-3-formyl-2(1H)-pyridoneDTXSID60216009RefChem:364283DTXCID101385001-isopropyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carbaldehyde2-oxo-1-propan-2-ylpyridine-3-carbaldehyde3-Formyl-1-isopropyl-2(1H)-pyridonestarbld0028968SCHEMBL21658871SHFWEJLKGNVTDA-UHFFFAOYSA-N
Show more names
3-Pyridinecarboxaldehyde, 1,2-dihydro-1-(1-methylethyl)-2-oxo-3-Pyridinecarboxaldehyde,1,2-dihydro-1-(1-methylethyl)-2-oxo-(9CI)
AKOS022636999DB-135136F2147-5264
Database identifiers
- CAS
65824-05-7- PubChem CID
- 144136
- DTXSID
DTXSID60216009
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 264
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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