1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione

C11H14N2O3 — CID 112597883

IUPAC1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CC2CC=CCC2)C(=O)N1
InChIInChI=1S/C11H14N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,12,14,16)
InChIKeyPQNRXYNXCOCDHR-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.81
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione

1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 112597883) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID112597883
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CC2CC=CCC2)C(=O)N1
InChIInChI=1S/C11H14N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,12,14,16)
InChIKeyPQNRXYNXCOCDHR-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 112597883) is 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CC2CC=CCC2)C(=O)N1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is PQNRXYNXCOCDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,12,14,16).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 222.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).