Basic information
- CAS
10333-13-8- Standard SMILES
O=C1CCC2=C(CCC2)N1- InChIKey
SVYGMXJGGZTAHB-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 1,3,4,5,6,7-Hexahydrocyclopenta[b]pyridin-2-one
- IUPAC
- 1,3,4,5,6,7-hexahydrocyclopenta[b]pyridin-2-one
- English name
- 3,4,6,7-TETRAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-2(5H)-ONE
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
1,3,4,5,6,7-hexahydrocyclopenta[b]pyridin-2-one10333-13-83,4,6,7-TETRAHYDRO-1H-CYCLOPENTA[B]PYRIDIN-2(5H)-ONE1,3,4,5,6,7-Hexahydro-2H-cyclopenta[b]pyridin-2-one.+/-.-1,3,4,5,6,7-Hexahydro-2H-pyrindin-2-oneSCHEMBL9359596DTXSID40342976SVYGMXJGGZTAHB-UHFFFAOYSA-N1,3,4,5,6,7-Hexahydro-2H-cyclopenta[b]pyridin-2-one #1,3,4,5,6,7-Hexahydro-[1]pyrindin-2-one2H-Cyclopenta[b]pyridin-2-one, 1,3,4,5,6,7-hexahydro-
Database identifiers
- CAS
10333-13-8- PubChem CID
- 586355
- DTXSID
DTXSID40342976- Nikkaji
- J470.829F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 80 · 80-80.5 °C(Solv: benzene (71-43-2))
- Boiling point
- 120 °C · 120 °C(Press: 0.4 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 15.52 · 15.52±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
天津安浩生物科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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