Basic information
- CAS
53632-50-1- Standard SMILES
C=CCC1(CC(C)=O)C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
ZJSORIKEFVSKCL-UHFFFAOYSA-N- Molecular formula
- C16H22N2O4
- Average molar mass
- 306.36 g/mol
- Monoisotopic mass
- 306.15795719
Names & identifiers
- Preferred name
- 1-Cyclohexyl-5-(2-oxopropyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 1-cyclohexyl-5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
53632-50-1RefChem:10553061-Cyclohexyl-5-(2-oxopropyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione5-Acetonyl-5-allyl-1-cyclohexylbarbituric acidBRN 06951705-Allyl-1-cyclohexyl-5-acetonylbarbituric acidBARBITURIC ACID, 5-ACETONYL-5-ALLYL-1-CYCLOHEXYL-DTXSID309684023-Cyclohexyl-6-hydroxy-5-(2-oxopropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
53632-50-1- PubChem CID
- 40833
- DTXSID
DTXSID30968402
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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