3,4-Dihydro-1-methyl-2H-pyrrolium
Completing data — refresh the page later to see the latest
Basic information
- CAS
16032-02-3- Standard SMILES
C[N+]1=CCCC1- InChIKey
FDWZAOGDOVQOLD-UHFFFAOYSA-N- Molecular formula
- C5H10N+
- Average molar mass
- 84.14 g/mol
- Monoisotopic mass
- 84.08132432
Overview
1-methylpyrrolinium is an organic cation that is 1-pyrroline bearing an N-methyl substituent. It has a role as a mouse metabolite and a human metabolite. It derives from a hydride of a 1-pyrrolinium.
Names & identifiers
- Preferred name
- 3,4-Dihydro-1-methyl-2H-pyrrolium
- IUPAC
- 1-methyl-3,4-dihydro-2H-pyrrol-1-ium
- English name
- 1-methyl-delta(1)-pyrrolinium
- Molecular formula
- C5H10N+
- Molecular weight
- 84.14
Names & synonyms
1-Methylpyrrolinium1-Methyl-delta(1)-pyrrolinium1-methyl-3,4-dihydro-2H-pyrrol-1-ium16032-02-31-methyl-3,4-dihydro-2H-pyrroliumCHEBI:27435DTXSID60166858RefChem:910596DTXCID60893493,4-Dihydro-1-methyl-2H-pyrroliumN-MethylpyrroliniumSCHEMBL2703152
Show more names
1-methyl-Delta1-pyrrolinium ionN-methyl-Delta1-pyrrolinium cation2H-Pyrrolium, 3,4-dihydro-1-methyl-C06178Q27103127
Database identifiers
- CAS
16032-02-3- PubChem CID
- 440932
- DTXSID
DTXSID60166858- ChEBI
CHEBI:27435- Nikkaji
- J493.544F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 1
- Complexity
- 74
Chemistry & industry
Additional notes
DefinitionChEBI: 1-methylpyrrolinium is an organic cation that is 1-pyrroline bearing an N-methyl substituent. It has a role as a human metabolite and a mouse metabolite. It derives from a hydride of a 1-pyrrolinium.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…