4-Isopropyl-7-methyl-1H-azepine-2,5-dione
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Basic information
- CAS
10315-42-1- Standard SMILES
Cc1cc(=O)c(C(C)C)cc(=O)[nH]1- InChIKey
JBXMVZXHBBIACC-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 4-Isopropyl-7-methyl-1H-azepine-2,5-dione
- IUPAC
- 7-methyl-4-propan-2-yl-1H-azepine-2,5-dione
- English name
- 4-Isopropyl-7-methyl-1H-azepine-2,5-dione
- Molecular formula
- C10H13NO2
- Molecular weight
- 0
Names & synonyms
4-Isopropyl-7-methyl-1H-azepine-2,5-dione10315-42-1DTXSID40344379RefChem:293629DTXCID002954541H-Azepine-2,5-dione, 4-isopropyl-7-methyl-7-methyl-4-propan-2-yl-1H-azepine-2,5-dioneJBXMVZXHBBIACC-UHFFFAOYSA-N4-Isopropyl-7-methyl-1H-azepine-2,5-dione #4-isopropyl-7-methyl-1H-azepine-2,5-quinone7-Methyl-4-(propan-2-yl)-1H-azepine-2,5-dione2,5-Dioxo-7-methyl-4-isopropyl-2,5-dihydro-1H-azepine
Database identifiers
- CAS
10315-42-1- PubChem CID
- 596340
- DTXSID
DTXSID40344379- Nikkaji
- J102.685B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
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Compound notes
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