Basic information
- CAS
19615-27-1- Standard SMILES
CC(=O)N1C=CCCC1- InChIKey
ZGKNRILGBQAZDJ-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Names & identifiers
- Preferred name
- Pyridine, 1-acetyl-1,2,3,4-tetrahydro-
- IUPAC
- 1-(3,4-dihydro-2H-pyridin-1-yl)ethanone
- English name
- 1-Acetyl-1,2,3,4-tetrahydropyridine
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
Pyridine, 1-acetyl-1,2,3,4-tetrahydro-19615-27-11-ACETYL-1,2,3,4-TETRAHYDROPYRIDINEDTXSID50173278RefChem:177572DTXCID9095769ZGKNRILGBQAZDJ-UHFFFAOYSA-N1-(3,4-dihydro-2H-pyridin-1-yl)ethanoneacetyltetrahydropyridineSCHEMBL1304604SCHEMBL49116221-(3,4-Dihydropyridin-1(2H)-yl)ethan-1-one
Show more names
Ethanone, 1-(3,4-dihydro-1(2H)-pyridinyl)-
Database identifiers
- CAS
19615-27-1- PubChem CID
- 29680
- DTXSID
DTXSID50173278- Nikkaji
- J99.956C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 60 °C · >60 °C(Press: 0.6 Torr)
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- pka
- -0.34 · -0.34±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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