Cyclopentobarbital

CAS Registry Number®

76-68-6
No image available.

CAS Name

Cyclopentobarbital

Molecular Formula

C12H14N2O3

Molecular Mass

234.25

Cite this Page

Cyclopentobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=76-68-6 (retrieved 2024-04-24) (CAS RN: 76-68-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)

InChIKey

InChIKey=XOVJAYNMQDTIJD-UHFFFAOYSA-N

SMILES

C(C=C)C1(C(=O)NC(=O)NC1=O)C2CCC=C2

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(CC=C)C2C=CCC2

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-5-(2-propen-1-yl)-
  • Barbituric acid, 5-allyl-5-(2-cyclopenten-1-yl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclopenten-1-yl)-5-(2-propenyl)-
  • 5-(2-Cyclopenten-1-yl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-(2-cyclopenten-1-yl)barbituric acid

View All

Deleted or Replaced CAS Registry Numbers

129625-26-9

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser