3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C11H14N4O5 — CID 2881603

IUPAC3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N(C(C)=O)C2C1N(C)C(=O)N2C(C)=O
InChIInChI=1S/C11H14N4O5/c1-5(16)13-8-9(15(7(3)18)11(13)20)14(6(2)17)10(19)12(8)4/h8-9H,1-4H3
InChIKeyOYWAOALBHXJOBZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.62
Rot. Bonds

About 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 2881603) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID2881603
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N(C(C)=O)C2C1N(C)C(=O)N2C(C)=O
InChIInChI=1S/C11H14N4O5/c1-5(16)13-8-9(15(7(3)18)11(13)20)14(6(2)17)10(19)12(8)4/h8-9H,1-4H3
InChIKeyOYWAOALBHXJOBZ-UHFFFAOYSA-N
XLogP-0.62
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 2881603) is 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CC(=O)N1C(=O)N(C(C)=O)C2C1N(C)C(=O)N2C(C)=O.
What is the InChIKey of 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is OYWAOALBHXJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-5(16)13-8-9(15(7(3)18)11(13)20)14(6(2)17)10(19)12(8)4/h8-9H,1-4H3.
What are the key properties of 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 282.26 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-triacetyl-1-methyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 2881603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).