(1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
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Basic information
- CAS
539858-02-1- Standard SMILES
CC12CCC(C(=O)NN)(OC1=O)C2(C)C- InChIKey
YDEONARLOOQXOQ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3
- Average molar mass
- 212.25 g/mol
Names & identifiers
- Preferred name
- (1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
- IUPAC
- 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide
- English name
- 2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)
- Molecular formula
- C10H16N2O3
- Molecular weight
- 212.25
Names & synonyms
539858-02-1(1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbohydrazide4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOHYDRAZIDE2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)F1244-01824-???-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptan-2-oneOprea1_031561Oprea1_549447SMSSF-0064621SBB039327AKOS000267790AKOS016039150
Show more names
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, hydrazide
ST50036945SR-01000010900SR-01000010900-11-carbazoyl-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Database identifiers
- CAS
539858-02-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 419.403 · 419.403±24.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.789 · 12.789±0.60(predicted)
Related reactions
0 records
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Compound notes
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