Nealbarbital
5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Nealbarbital|Nealbarbitone|Censedal|Neallymal|Nepental|Nevental|Nealbarbitalum|Neallylmalum|Nealbarbital [INN]|Allylneopentylbarbituric acid|Nealbarbital [INN:BAN]|5-Allyl-5-neopentylbarbituric acid|Nealbarbitalum [INN-Latin]|NEALBARBITAL [MI]|5-Neopentyl-5-allylbarbituric acid|NEALBARBITAL [WHO-DD]|5-Allyl-5-neopentylbarbitursaeure|Barbituric acid, 5-allyl-5-neopentyl-|EINECS 209-224-5|5-Allyl-5-neopentyl-barbitursaeure|NEOPENTYLALLYLBARBITURIC ACID|5-Allyl-5-(2,2-dimethylpropyl)barbituric acid|5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione|5-(2,2-Dimethylpropyl)-5-(2-propenyl)barbituric acid|5-Allyl-5-(2,2-dimethylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|5-Allyl-5-neopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione #|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2,2-dimethylpropyl)-5-(2-propenyl)-|5-(2,2-dimethylpropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione|5-(2,2-Dimethylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|209-224-5
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13174 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.13174 |
| Monoisotopic Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 561-83-1 |
|---|---|
| SMILES | CC(C)(C)CC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | YHKPTICJRUESOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nealbarbital (CAS 561-83-1), with molecular formula C12H18N2O3 and molecular weight 238.13174 g/mol. IUPAC: 5-(2,2-dimethylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
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