Basic information
- CAS
67051-36-9- Standard SMILES
C=C(C)C1(CCCCC)C(=O)NC(=O)NC1=O- InChIKey
BTBGGZFIDRCXTC-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-isopropenyl-5-pentyl-
- IUPAC
- 5-pentyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Isopropenyl-5-pentylbarbituric acid
- Molecular weight
- 0
Names & synonyms
BARBITURIC ACID, 5-ISOPROPENYL-5-PENTYL-5-Isopropenyl-5-pentylbarbituric acid67051-36-9BRN 0225364DTXSID702173604-24-00-02013 (Beilstein Handbook Reference)NSC 125793RefChem:116481DTXCID70139851SCHEMBL300828825-pentyl-5-(prop-1-en-2-yl)-1,3-diazinane-2,4,6-trioneNSC125793
Show more names
5-Isopropenyl-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
NSC-1257932,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethenyl)-5-pentyl-
Database identifiers
- CAS
67051-36-9- PubChem CID
- 49306
- DTXSID
DTXSID70217360- Nikkaji
- J105.694H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
LogP2.15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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