Basic information
- CAS
671183-67-8- Standard SMILES
C#CCN1CC(OCC)=CC1=O- InChIKey
BUSWJPLDYFECRI-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
Names & identifiers
- Preferred name
- 3-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-
- IUPAC
- 3-ethoxy-1-prop-2-ynyl-2H-pyrrol-5-one
- English name
- 2H-Pyrrol-2-one,4-ethoxy-1,5-dihydro-1-(2-propynyl)-(9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
671183-67-83-Pyrrolin-2-one, 4-ethoxy-1-(2-propynyl)-4-Ethoxy-1-(prop-2-yn-1-yl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one,4-ethoxy-1,5-dihydro-1-(2-propynyl)-(9CI)3-ethoxy-1-prop-2-ynyl-2H-pyrrol-5-oneBUSWJPLDYFECRI-UHFFFAOYSA-NHMS1662M10CCG-55189DB-281965SR-01000644229-12H-PYRROL-2-ONE, 4-ETHOXY-1,5-DIHYDRO-1-(2-PROPYNYL)-2H-Pyrrol-2-one, 4-ethoxy-1,5-dihydro-1-(2-propyn-1-yl)-
Database identifiers
- CAS
671183-67-8
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 339.3 · 339.3±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- -2.56 · -2.56±0.40(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…