5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione

C16H22N2O2 — CID 71267577

About 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione

5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione (PubChem CID 71267577) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione.

Molecular Properties

• Compound Name: 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
• PubChem CID: 71267577
• Molecular Formula: C16H22N2O2
• Molecular Weight: 274.36 g/mol
• Exact Mass: 274.17
• IUPAC Name: 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
• SMILES: C=c1n(C)c(=O)c(=C/C=C/C2CCCCC2)c(=O)n1C
• InChI: InChI=1S/C16H22N2O2/c1-12-17(2)15(19)14(16(20)18(12)3)11-7-10-13-8-5-4-6-9-13/h7,10-11,13H,1,4-6,8-9H2,2-3H3/b10-7+
• InChIKey: VJISNCAXPJBDEX-JXMROGBWSA-N
• XLogP: 0.41
• TPSA: 44.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.36
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?

The IUPAC name of 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione (CID 71267577) is 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione.

What is the SMILES notation for 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?

The canonical SMILES for 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione is C=c1n(C)c(=O)c(=C/C=C/C2CCCCC2)c(=O)n1C.

What is the InChIKey of 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?

The InChIKey is VJISNCAXPJBDEX-JXMROGBWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-17(2)15(19)14(16(20)18(12)3)11-7-10-13-8-5-4-6-9-13/h7,10-11,13H,1,4-6,8-9H2,2-3H3/b10-7+.

What are the key properties of 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?

5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione has a molecular weight of 274.36 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-3-cyclohexylprop-2-enylidene]-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 71267577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).