Alchorneine
Basic information
- CAS
28340-21-8- Standard SMILES
C=C(C)[C@@H]1CN2C=CC(C)(C)N=C2N1OC- InChIKey
RCNXAKUMTKVCLL-JTQLQIEISA-N- Molecular formula
- C12H19N3O
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.15281224
Overview
Alchorneine is a member of imidazolidines.
Names & identifiers
- Preferred name
- Alchorneine
- IUPAC
- (2R)-1-methoxy-7,7-dimethyl-2-prop-1-en-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine
- English name
- alchorneine
- Molecular formula
- C12H19N3O
- Molecular weight
- 0
Names & synonyms
Alchorneine28340-21-8EZ8Q3SE26SC10566(R)-1-Methoxy-7,7-dimethyl-2-(prop-1-en-2-yl)-1,2,3,7-tetrahydroimidazo[1,2-a]pyrimidine(2R)-1,2,3,7-Tetrahydro-1-methoxy-7,7-dimethyl-2-(1-methylethenyl)imidazo(1,2-a)pyrimidineImidazo(1,2-a)pyrimidine, 1,2,3,7-tetrahydro-1-methoxy-7,7-dimethyl-2-(1-methylethenyl)-, (2R)-Imidazo(1,2-a)pyrimidine, 1,2,3,7-tetrahydro-1-methoxy-7,7-dimethyl-2-(1-methylethenyl)-, (R)-AC1L531VAC1Q594G(2r)-1-methoxy-7,7-dimethyl-2-(prop-1-en-2-yl)-1,2,3,7-tetrahydroimidazo[1,2-a]pyrimidineUNII-EZ8Q3SE26S
Show more names
2-isopropenyl-1-methoxy-7,7-dimethyl-1,2,3,7-tetrahydro-imidazo[1,2-a]pyrimidine(2R)-1,2,3,7-Tetrahydro-1-methoxy-7,7-dimethyl-2-isopropenylimidazo[1,2-a]pyrimidine
CHEBI:2551DTXSID50276915(2R)-1-methoxy-7,7-dimethyl-2-prop-1-en-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidineQ15410231(2R)-2-isopropenyl-1-methoxy-7,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidine
Database identifiers
- CAS
28340-21-8- PubChem CID
- 217611
- DTXSID
DTXSID50276915- ChEBI
CHEBI:2551- UNII
- EZ8Q3SE26S
- Nikkaji
- J17.039I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- FDA UNII
- 8 Q3SE26S · EZ8Q3SE26S
Chemistry & industry
Additional notes
DefinitionChEBI: Alchorneine is a member of imidazolidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…