5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione

C12H14N2O3 — CID 24834124

IUPAC5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
SMILESC=C(C)C1(C2C=CCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O3/c1-7(2)12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h3,5,8H,1,4,6H2,2H3,(H2,13,14,15,16,17)
InChIKeyJGEPVWDGSSQHQY-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.88
Rot. Bonds2

About 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione

5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 24834124) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID24834124
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
SMILESC=C(C)C1(C2C=CCC2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H14N2O3/c1-7(2)12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h3,5,8H,1,4,6H2,2H3,(H2,13,14,15,16,17)
InChIKeyJGEPVWDGSSQHQY-UHFFFAOYSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
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

sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 137321514
5-cyclopent-2-en-1-yl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione
CID 24834128
2-(5-cyclopent-2-en-1-yl-1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)acetic acid
CID 87440801
2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
CID 86092713
2-cyclopent-2-en-1-yl-2-hydroxyindene-1,3-dione
CID 10059650
cyclohexyl 2-(5-cyclopent-2-en-1-yl-1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)acetate
CID 12967980
5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;5-cyclohex-2-en-1-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 87186642
(3aS,7aS)-3-propan-2-ylidene-3a,4,5,7a-tetrahydro-1-benzofuran-2-one
CID 101022900
1-cyclopent-2-en-1-ylethanone
CID 12714402
CID 87392870
CID 87392870
5-prop-1-en-2-ylimidazolidine-2,4-dione
CID 152892368
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073

Frequently Asked Questions

What is the IUPAC name of 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione (CID 24834124) is 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione is C=C(C)C1(C2C=CCC2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is JGEPVWDGSSQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h3,5,8H,1,4,6H2,2H3,(H2,13,14,15,16,17).
What are the key properties of 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione?
5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 234.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24834124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).