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

C11H14N2O3 — CID 77073100

IUPAC5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(CN2CC(C)C(=O)NC2=O)o1
InChIInChI=1S/C11H14N2O3/c1-7-5-13(11(15)12-10(7)14)6-9-4-3-8(2)16-9/h3-4,7H,5-6H2,1-2H3,(H,12,14,15)
InChIKeyQWCDZAUYNYVBQE-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.28
Rot. Bonds2

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

5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 77073100) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID77073100
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(CN2CC(C)C(=O)NC2=O)o1
InChIInChI=1S/C11H14N2O3/c1-7-5-13(11(15)12-10(7)14)6-9-4-3-8(2)16-9/h3-4,7H,5-6H2,1-2H3,(H,12,14,15)
InChIKeyQWCDZAUYNYVBQE-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione (CID 77073100) is 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione is Cc1ccc(CN2CC(C)C(=O)NC2=O)o1.
What is the InChIKey of 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is QWCDZAUYNYVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-13(11(15)12-10(7)14)6-9-4-3-8(2)16-9/h3-4,7H,5-6H2,1-2H3,(H,12,14,15).
What are the key properties of 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione?
5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methylfuran-2-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 77073100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).