Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-

C10H14N2O3 — CID 48772

IUPAC5-ethyl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(=O)NC(=O)N(C1=O)C)C(=C)C
InChIInChI=1S/C10H14N2O3/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h2,5H2,1,3-4H3,(H,11,13,15)
InChIKeyFULFMHFZPUOSSW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.70
Rot. Bonds2

About Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-

Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl- (PubChem CID 48772) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-ethyl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound NameBarbituric acid, 5-ethyl-5-isopropenyl-1-methyl-
PubChem CID48772
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-ethyl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(=O)NC(=O)N(C1=O)C)C(=C)C
InChIInChI=1S/C10H14N2O3/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h2,5H2,1,3-4H3,(H,11,13,15)
InChIKeyFULFMHFZPUOSSW-UHFFFAOYSA-N
XLogP1.70
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity362

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Metharbital
CID 4099
Methohexital
CID 9034
Allobarbital
CID 5842
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-propenyl)-
CID 48542
Vinbarbital
CID 5284636
Pronarcon
CID 18735
1,3-Dimethyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12880
5-Allyl-5-isopropyl-1-methylbarbituric acid
CID 95636
2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-di-2-propenyl-, monosodium salt
CID 14148201
Barbituric acid, 5-allyl-5-isopropenyl-
CID 48549
5-Ethyl-5-(3-methyl-2-buten-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 88800
4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one
CID 49305

Frequently Asked Questions

What is the IUPAC name of Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-?
The IUPAC name of Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl- (CID 48772) is 5-ethyl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-?
The canonical SMILES for Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl- is CCC1(C(=O)NC(=O)N(C1=O)C)C(=C)C.
What is the InChIKey of Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-?
The InChIKey is FULFMHFZPUOSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h2,5H2,1,3-4H3,(H,11,13,15).
What are the key properties of Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-?
Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl- has a molecular weight of 210.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl- is sourced from PubChem (CID 48772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).