5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione

C12H14N2O3 — CID 102080704

IUPAC5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=C/C2=CCCCC2)C(=O)N1
InChIInChI=1S/C12H14N2O3/c15-10-9(11(16)14-12(17)13-10)7-6-8-4-2-1-3-5-8/h4,6-7,9H,1-3,5H2,(H2,13,14,15,16,17)/b7-6+
InChIKeyOGMTUTHQHYFBBJ-VOTSOKGWSA-N
MW234.25 g/mol
LogP1.03
Rot. Bonds2

About 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione

5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione (PubChem CID 102080704) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione
PubChem CID102080704
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=C/C2=CCCCC2)C(=O)N1
InChIInChI=1S/C12H14N2O3/c15-10-9(11(16)14-12(17)13-10)7-6-8-4-2-1-3-5-8/h4,6-7,9H,1-3,5H2,(H2,13,14,15,16,17)/b7-6+
InChIKeyOGMTUTHQHYFBBJ-VOTSOKGWSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione (CID 102080704) is 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(/C=C/C2=CCCCC2)C(=O)N1.
What is the InChIKey of 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is OGMTUTHQHYFBBJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10-9(11(16)14-12(17)13-10)7-6-8-4-2-1-3-5-8/h4,6-7,9H,1-3,5H2,(H2,13,14,15,16,17)/b7-6+.
What are the key properties of 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione?
5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 234.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(cyclohexen-1-yl)ethenyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102080704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).