3,3,5-Trimethyl-3,4-dihydro-2h-pyrrole 1-oxide
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Basic information
- CAS
6931-11-9- Standard SMILES
CC1=[N+]([O-])CC(C)(C)C1- InChIKey
XIHMXALAYQVWPI-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- 3,3,5-Trimethyl-3,4-dihydro-2h-pyrrole 1-oxide
- IUPAC
- 3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium
- English name
- 3,4-Dihydro-3,3,5-trimethyl-2H-pyrrole 1-oxide
- Molecular weight
- 0
Names & synonyms
6931-11-93,3,5-trimethyl-3,4-dihydro-2h-pyrrole 1-oxideNSC78028DTXSID60291795NSC-780283,3,5-Trimethyl-1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrole2,4,4-Trimethyl-1-pyrroline 1-oxide3,4-Dihydro-3,3,5-trimethyl-2H-pyrrole 1-oxide
Database identifiers
- CAS
6931-11-9- PubChem CID
- 254182
- DTXSID
DTXSID60291795- Nikkaji
- J410.622I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- 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
- 158
Related reactions
0 records
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Compound notes
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