Basic information
- CAS
66941-80-8- Standard SMILES
C=CCC1(C(C)CCCC)C(=O)NC(=O)NC1=O- InChIKey
BHMCZLLWTUGWFL-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(1-methylpentyl)-
- IUPAC
- 5-hexan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-ALLYL-5-(1-METHYLPENTYL)-66941-80-8RefChem:10776155-Allyl-5-(1-methylpentyl)barbituric acidBRN 02341675-24-09-00239 (Beilstein Handbook Reference)DTXSID709856785-(Hexan-2-yl)-4,6-dihydroxy-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
Database identifiers
- CAS
66941-80-8- PubChem CID
- 48558
- DTXSID
DTXSID70985678- Nikkaji
- J93.455K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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