N,N-Diallylpentobarbital

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Basic information

CAS: 95575-11-4
Standard SMILES: C=CCN1C(=O)N(CC=C)C(=O)C(CC)(CCC(C)C)C1=O
InChIKey: WOOJIBVDNKTPDJ-UHFFFAOYSA-N
Molecular formula: C17H26N2O3
Average molar mass: 306.4 g/mol
Monoisotopic mass: 306.1943427

Overview

structure given in first source

Names & identifiers

Preferred name: N,N-Diallylpentobarbital
IUPAC: 5-ethyl-5-(3-methylbutyl)-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
English name: N,N-diallylpentobarbital
Molecular formula: C17H26N2O3
Molecular weight: 0

Names & synonyms

N,N-DiallylpentobarbitalN,N-Dapb95575-11-4RefChem:161128SCHEMBL10874767DTXSID309149292,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-1,3-di-2-propenyl-5-Ethyl-5-(3-methylbutyl)-1,3-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trioneN,N'-diallylamobarbital5-Ethyl-5-(1-methylbutyl)-1,3-diallyl-2,4,6(1H,3H,5H)-pyrimidinetrione1,3-Diallyl-5-ethyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Database identifiers

CAS: 95575-11-4
PubChem CID: 125599
DTXSID: DTXSID30914929
Nikkaji: J2.124.917C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 57.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 450

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Compound notes

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