2-Azetidinone, 3,3-diethyl-
Basic information
- CAS
16006-10-3- Standard SMILES
CCC1(CC)CNC1=O- InChIKey
XHMUOLXEAFNULF-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- 2-Azetidinone, 3,3-diethyl-
- IUPAC
- 3,3-diethylazetidin-2-one
- English name
- 3,3-Diethylazetidin-2-one
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
3,3-Diethyl-2-azetidinone16006-10-32-AZETIDINONE, 3,3-DIETHYL-3,3-Dietil-2-azetidinone3,3-Dietil-2-azetidinone [Italian]L 1700BRN 0109927DTXSID601667924-21-00-03260 (Beilstein Handbook Reference)RefChem:256179DTXCID90892833,3-diethylazetidin-2-one
Show more names
L-1700
SCHEMBL7362457SCHEMBL7394190AKOS006352505
Database identifiers
- CAS
16006-10-3- PubChem CID
- 27623
- DTXSID
DTXSID60166792- Nikkaji
- J54.685B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 91 · 91-96 °C(Press: 0.8 Torr)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- pka
- 15.96 · 15.96±0.40(Predicted)
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Compound notes
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