Basic information
- CAS
67050-82-2- Standard SMILES
C=CCC1(CC=C)C(=O)NC(=O)N(CC(N)=O)C1=O- InChIKey
ODDVXSNDJWGLRL-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- Barbituric acid, 1-carbamoylmethyl-5,5-diallyl-
- IUPAC
- 2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetamide
Names & synonyms
BARBITURIC ACID, 1-CARBAMOYLMETHYL-5,5-DIALLYL-67050-82-2BRN 02646831-Carbamoylmethyl-5,5-diallylbarbituric acidDTXSID402173522-[2,4,6-Trioxo-5,5-di(prop-2-en-1-yl)-1,3-diazinan-1-yl]acetamide
Database identifiers
- CAS
67050-82-2- PubChem CID
- 49247
- DTXSID
DTXSID40217352- Nikkaji
- J93.598K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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