1-Isobutyryl-5,5-dimethyl-1H-pyrrol-2(5H)-one
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Basic information
- CAS
194666-41-6- Standard SMILES
CC(C)C(=O)N1C(=O)C=CC1(C)C- InChIKey
CFKROKLZPGUWBV-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 1-Isobutyryl-5,5-dimethyl-1H-pyrrol-2(5H)-one
- IUPAC
- 5,5-dimethyl-1-(2-methylpropanoyl)pyrrol-2-one
- English name
- 2H-Pyrrol-2-one, 1,5-dihydro-5,5-dimethyl-1-(2-methyl-1-oxopropyl)-
- Molecular formula
- C10H15NO2
- Molecular weight
- 0
Names & synonyms
1-Isobutyryl-5,5-dimethyl-1H-pyrrol-2(5H)-one194666-41-65,5-DIMETHYL-1-(2-METHYLPROPANOYL)PYRROL-2-ONE2H-Pyrrol-2-one, 1,5-dihydro-5,5-dimethyl-1-(2-methyl-1-oxopropyl)-
Database identifiers
- CAS
194666-41-6- PubChem CID
- 45119560
- Nikkaji
- J842.687B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
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Compound notes
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