1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione

C11H14N2O3 — CID 79778117

IUPAC1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(C(C)N2CCC(=O)NC2=O)o1
InChIInChI=1S/C11H14N2O3/c1-7-3-4-9(16-7)8(2)13-6-5-10(14)12-11(13)15/h3-4,8H,5-6H2,1-2H3,(H,12,14,15)
InChIKeyHEYVIVMRYSAFCP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.59
Rot. Bonds2

About 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione

1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 79778117) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID79778117
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(C(C)N2CCC(=O)NC2=O)o1
InChIInChI=1S/C11H14N2O3/c1-7-3-4-9(16-7)8(2)13-6-5-10(14)12-11(13)15/h3-4,8H,5-6H2,1-2H3,(H,12,14,15)
InChIKeyHEYVIVMRYSAFCP-UHFFFAOYSA-N
XLogP1.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione (CID 79778117) is 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione is Cc1ccc(C(C)N2CCC(=O)NC2=O)o1.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is HEYVIVMRYSAFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-3-4-9(16-7)8(2)13-6-5-10(14)12-11(13)15/h3-4,8H,5-6H2,1-2H3,(H,12,14,15).
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione?
1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79778117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).