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

C11H12N2O4 — CID 556917

IUPAC5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2ccco2)C(=O)N(C)C1=O
InChIInChI=1S/C11H12N2O4/c1-12-9(14)8(6-7-4-3-5-17-7)10(15)13(2)11(12)16/h3-5,8H,6H2,1-2H3
InChIKeyRBZSDHOWNSTWCM-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.49
Rot. Bonds2

About 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 556917) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID556917
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2ccco2)C(=O)N(C)C1=O
InChIInChI=1S/C11H12N2O4/c1-12-9(14)8(6-7-4-3-5-17-7)10(15)13(2)11(12)16/h3-5,8H,6H2,1-2H3
InChIKeyRBZSDHOWNSTWCM-UHFFFAOYSA-N
XLogP0.49
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
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 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 556917) is 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(Cc2ccco2)C(=O)N(C)C1=O.
What is the InChIKey of 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is RBZSDHOWNSTWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-12-9(14)8(6-7-4-3-5-17-7)10(15)13(2)11(12)16/h3-5,8H,6H2,1-2H3.
What are the key properties of 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 236.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 556917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).