4,5,5-trimethyl-1-pyrroline N-oxide
Basic information
- CAS
3146-84-7- Standard SMILES
CC1CC=[N+]([O-])C1(C)C- InChIKey
XOCLGRDUBIMBFR-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- 4,5,5-trimethyl-1-pyrroline N-oxide
- IUPAC
- 2,2,3-trimethyl-1-oxido-3,4-dihydropyrrol-1-ium
Names & synonyms
NSC3284483146-84-7DTXSID403182974,5,5-trimethyl-1-pyrroline N-oxideNSC-328448DS-0041602,2,3-Trimethyl-1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrole2H-PYRROLE,3,4-DIHYDRO-2,2,3-TRIMETHYL-, 1-OXIDE
Database identifiers
- CAS
3146-84-7- PubChem CID
- 332260
- DTXSID
DTXSID40318297- Nikkaji
- J435.838D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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