Basic information
- CAS
99901-13-0- Standard SMILES
C=CCC1(CC=C(C)C)C(=O)NC(=O)NC1=O- InChIKey
BNOBTNJZZKICRW-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
5-Allyl-5-(3-methyl-2-butenyl)barbituric acid99901-13-0BARBITURIC ACID, 5-ALLYL-5-(3-METHYL-2-BUTENYL)-DTXSID20244308RefChem:320758DTXCID801667995-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trioneSCHEMBL76466555-(3-methylbut-2-en-1-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Allyl-5-(3-methyl-2-butenyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-5-(3-METHYL-2-BUTENYL)-, AC1L1NB0, SureCN7646655, LS-23755, 5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 99901-13-0
Database identifiers
- CAS
99901-13-0- PubChem CID
- 57584
- DTXSID
DTXSID20244308- Nikkaji
- J93.445C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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