4-ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
4030-24-4- Standard SMILES
CCC1=C(C)C(=O)NC1C- InChIKey
WJYNPJANPBVGCG-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 4-ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
Names & synonyms
4030-24-44-ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one4-ethyl-3,5-dimethyl-1,5-dihydro-pyrrol-2-oneSCHEMBL6684876DTXSID70563399MFCD19216961AKOS006350910SY5662024-Ethyl-3,5-dimethyl-1,5-dihydro-2H-pyrrole-2-one
Database identifiers
- CAS
4030-24-4- PubChem CID
- 14729909
- DTXSID
DTXSID70563399
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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