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

C9H8N2O4 — CID 2269367

IUPAC1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(Cc2ccco2)C(=O)N1
InChIInChI=1S/C9H8N2O4/c12-7-4-8(13)11(9(14)10-7)5-6-2-1-3-15-6/h1-3H,4-5H2,(H,10,12,14)
InChIKeyWNSAVOLNDMMVNP-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.25
Rot. Bonds2

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

1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2269367) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID2269367
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(Cc2ccco2)C(=O)N1
InChIInChI=1S/C9H8N2O4/c12-7-4-8(13)11(9(14)10-7)5-6-2-1-3-15-6/h1-3H,4-5H2,(H,10,12,14)
InChIKeyWNSAVOLNDMMVNP-UHFFFAOYSA-N
XLogP0.25
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 2269367) is 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(Cc2ccco2)C(=O)N1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is WNSAVOLNDMMVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-7-4-8(13)11(9(14)10-7)5-6-2-1-3-15-6/h1-3H,4-5H2,(H,10,12,14).
What are the key properties of 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 208.17 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2269367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).