Basic information
- CAS
83481-69-0- Standard SMILES
CC(=O)N(C)C(C)C#CCN1CCCC1- InChIKey
VHYUYQHTMPWAPK-UHFFFAOYSA-N- Molecular formula
- C12H20N2O
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.15756327
Overview
N-methyl-N-[5-(1-pyrrolidinyl)pent-3-yn-2-yl]acetamide is a N-alkylpyrrolidine.
Names & identifiers
- Preferred name
- N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
- IUPAC
- N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
- English name
- N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
- Molecular formula
- C12H20N2O
- Molecular weight
- 208.3
Names & synonyms
83481-69-0N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamideRefChem:163740BM 5CHEMBL310852BRN 4183507DTXSID901003460N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamideN-Methyl-N-(1-methyl-4-(1-pyrrolidinyl)-2-butynyl)acetamide2Y2NXS2X4HSCHEMBL3603670CHEBI:125413
Show more names
Acetamide, N-methyl-N-[1-methyl-4-(1-pyrrolidinyl)-2-butyn-1-yl]-
N-METHYL-N-[5-(PYRROLIDIN-1-YL)PENT-3-YN-2-YL]ACETAMIDEBDBM50004734ACETAMIDE, N-METHYL-N-(1-METHYL-4-(1-PYRROLIDINYL)-2-BUTYNYL)-BRD-A52647795-001-01-9Q27216030N-methyl-N-(1-methyl-4-pyrrolidino-2-bu-tynyl)acetamideN-methyl-N-[5-(1-pyrrolidinyl)pent-3-yn-2-yl]acetamideN-Methyl-N-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)-acetamide
Database identifiers
- CAS
83481-69-0- PubChem CID
- 55005
- DTXSID
DTXSID901003460- ChEMBL
CHEMBL310852- ChEBI
CHEBI:125413- UNII
- 2Y2NXS2X4H
- Nikkaji
- J273.505I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 0.15 Torr)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 8.27 · 8.27±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: N-methyl-N-[5-(1-pyrrolidinyl)pent-3-yn-2-yl]acetamide is a N-alkylpyrrolidine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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