Basic information
- CAS
69353-38-4- Standard SMILES
C=CCC1(Cc2ccc3c(c2)OCO3)C(=O)NC(=O)NC1=O- InChIKey
DOIXCQCZFWKGLM-UHFFFAOYSA-N- Molecular formula
- C15H14N2O5
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.09027155
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-5-piperonyl-
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-5-piperonylbarbituric acid
- Molecular weight
- 0
Names & synonyms
Piperonylallylbarbituric acidBARBITURIC ACID, 5-ALLYL-5-PIPERONYL-BRN 030250069353-38-4Allyl(3,4-methylenedioxybenzyl)barbituric acidDTXSID202194354-27-00-08858 (Beilstein Handbook Reference)RefChem:320773DTXCID401419265-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-Allyl-5-piperonylbarbituric acid5-Allyl-5-piperonyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
69353-38-4- PubChem CID
- 50435
- DTXSID
DTXSID20219435- Nikkaji
- J93.465H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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