5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine
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Basic information
- CAS
80933-77-3- Standard SMILES
CC(=O)c1cc(C)c2n1CCC2- InChIKey
GEURXEPGCAPDNA-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Overview
5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizine is a member of pyrrolizines.
Names & identifiers
- Preferred name
- 5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine
- IUPAC
- 1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone
- English name
- Ethanone, 1-(2,3-dihydro-7-methyl-1H-pyrrolizin-5-yl)- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
80933-77-31-(7-Methyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethanone5-acetyl-7-methyl-2,3-dihydro-1H-pyrrolizine1-(7-methyl-2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one47EDK5XJ3A1-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanone1-(2,3-Dihydro-7-methyl-1H-pyrrolizin-5-yl)ethanone5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizineEthanone, 1-(2,3-dihydro-7-methyl-1H-pyrrolizin-5-yl)-UNII-47EDK5XJ3ACHEBI:173432GEURXEPGCAPDNA-UHFFFAOYSA-N
Show more names
Ethanone, 1-(2,3-dihydro-7-methyl-1H-pyrrolizin-5-yl)- (9CI)
DTXSID601225362
Database identifiers
- CAS
80933-77-3- PubChem CID
- 6428862
- DTXSID
DTXSID601225362- ChEBI
CHEBI:173432- UNII
- 47EDK5XJ3A
- Nikkaji
- J609.051F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 313.6 · 313.6±30.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -5.63 · -5.63±0.20(Predicted)
- FDA UNII
- 47 EDK5XJ3A · 47EDK5XJ3A
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 5-Acetyl-2,3-dihydro-7-methyl-1H-pyrrolizine is a member of pyrrolizines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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