Compound Identification
SMILES
CC(=O)N[C@H]1[C@H]2C[NH+]3CC[C@H](O2)[C@H]13
InChIKey
InChIKey=BWGXNGORZPWYGZ-UYXSQOIJSA-O
Formula
C9H15N2O2
Mass
183.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Loline alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Loline alkaloids and derivatives
Alternative Parents
Pyrrolizidines 1,4-oxazepines Morpholines N-alkylpyrrolidines Acetamides Quaternary ammonium salts Oxolanes Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Loline - Pyrrolizidine - Para-oxazepine - Morpholine - Oxazinane - N-alkylpyrrolidine - Acetamide - Oxolane - Pyrrolidine - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic cation - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as loline alkaloids and derivatives. These are alkaloids with a structure characterized by a saturated pyrrolizidine ring, a primary amine at the C-1 carbon, and an internal ether bridge joining two distant ring (C-2 and C-7) carbons. Different substituents at the C-1 amine, such as methyl, formyl, and acetyl groups, yield various loline species.
External Descriptors
Not available