1-(3-Methoxyphenyl)-2-pyrrolidinone
Basic information
- CAS
30425-46-8- Standard SMILES
COc1cccc(N2CCCC2=O)c1- InChIKey
AKODNVGCZKBUNT-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenyl)-2-pyrrolidinone
- IUPAC
- 1-(3-methoxyphenyl)pyrrolidin-2-one
- English name
- 1-(3-METHOXY-PHENYL)-PYRROLIDIN-2-ONE
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
30425-46-81-(3-methoxyphenyl)-2-pyrrolidinoneRefChem:2244741-(3-methoxyphenyl)pyrrolidin-2-one2-Pyrrolidinone, 1-(3-methoxyphenyl)-MFCD00666130starbld0048881SCHEMBL3143737SCHEMBL11116125SCHEMBL16499560DTXSID001293022ALBB-031881
Show more names
1-(3-METHOXY-PHENYL)-PYRROLIDIN-2-ONE
AKOS022301541LS-11633SY300717E88094
Database identifiers
- CAS
30425-46-8- PubChem CID
- 4451679
- DTXSID
DTXSID001293022- Nikkaji
- J1.052.762G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 56 °C · 56 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Boiling point
- 411.8 · 411.8±28.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 0.12 · 0.12±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…