3-(2,2,5,5-Tetramethyl-1--oxypyrrolidinyl)-2-propen-1-ol
Basic information
- CAS
76893-25-9- Standard SMILES
CC1(C)C=C(/C=C/CO)C(C)(C)N1O- InChIKey
VXNZNWQSHIHBAP-AATRIKPKSA-N- Molecular formula
- C11H19NO2
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.14157885
Overview
specific substrate of alcohol dehydrogenase; structure given in first source
Names & identifiers
- Preferred name
- 3-(2,2,5,5-Tetramethyl-1--oxypyrrolidinyl)-2-propen-1-ol
- IUPAC
- (E)-3-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)prop-2-en-1-ol
- English name
- 3-(2,2,5,5-tetramethyl-1--oxypyrrolidinyl)-2-propen-1-ol
- Molecular formula
- C11H19NO2
- Molecular weight
- 197.27406
Names & synonyms
3-Toppo76893-25-93-(2,2,5,5-Tetramethyl-1--oxypyrrolidinyl)-2-propen-1-olRefChem:921012,5-Dihydro-3-(3-hydroxy-1-propenyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy1H-Pyrrol-1-yloxy, 2,5-dihydro-3-(3-hydroxy-1-propenyl)-2,2,5,5-tetramethyl-
Database identifiers
- CAS
76893-25-9- PubChem CID
- 44152201
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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