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

C11H16N2O2 — CID 79777588

IUPAC1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CC2CC=CCC2)C(=O)N1
InChIInChI=1S/C11H16N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,12,14,15)
InChIKeyZHYQPBVQXMISSZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.28
Rot. Bonds2

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

1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione (PubChem CID 79777588) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione
PubChem CID79777588
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(CC2CC=CCC2)C(=O)N1
InChIInChI=1S/C11H16N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,12,14,15)
InChIKeyZHYQPBVQXMISSZ-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-dione?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione (CID 79777588) is 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione is O=C1CCN(CC2CC=CCC2)C(=O)N1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione?
The InChIKey is ZHYQPBVQXMISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-6-7-13(11(15)12-10)8-9-4-2-1-3-5-9/h1-2,9H,3-8H2,(H,12,14,15).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione?
1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).