(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

C16H18N2O4 — CID 882762

IUPAC(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)o1
InChIInChI=1S/C16H18N2O4/c1-10-7-8-12(22-10)9-13-14(19)17-16(21)18(15(13)20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19,21)/b13-9-
InChIKeyPWEZDEWIFUSBBL-LCYFTJDESA-N
MW302.33 g/mol
LogP2.38
Rot. Bonds2

About (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 882762) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID882762
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)o1
InChIInChI=1S/C16H18N2O4/c1-10-7-8-12(22-10)9-13-14(19)17-16(21)18(15(13)20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19,21)/b13-9-
InChIKeyPWEZDEWIFUSBBL-LCYFTJDESA-N
XLogP2.38
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 882762) is (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)o1.
What is the InChIKey of (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is PWEZDEWIFUSBBL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-7-8-12(22-10)9-13-14(19)17-16(21)18(15(13)20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,17,19,21)/b13-9-.
What are the key properties of (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
(5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 302.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 882762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).