2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile

C11H12N4O2 — CID 101157610

IUPAC2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile
SMILESCN1C(=O)C2CC(C)(C#N)C2(C#N)N(C)C1=O
InChIInChI=1S/C11H12N4O2/c1-10(5-12)4-7-8(16)14(2)9(17)15(3)11(7,10)6-13/h7H,4H2,1-3H3
InChIKeyUOQKOQOJZLGXRF-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.32
Rot. Bonds

About 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile

2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile (PubChem CID 101157610) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile.

Molecular Properties

Compound Name2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile
PubChem CID101157610
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile
SMILESCN1C(=O)C2CC(C)(C#N)C2(C#N)N(C)C1=O
InChIInChI=1S/C11H12N4O2/c1-10(5-12)4-7-8(16)14(2)9(17)15(3)11(7,10)6-13/h7H,4H2,1-3H3
InChIKeyUOQKOQOJZLGXRF-UHFFFAOYSA-N
XLogP0.32
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile?
The IUPAC name of 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile (CID 101157610) is 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile.
What is the SMILES notation for 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile?
The canonical SMILES for 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile is CN1C(=O)C2CC(C)(C#N)C2(C#N)N(C)C1=O.
What is the InChIKey of 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile?
The InChIKey is UOQKOQOJZLGXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-10(5-12)4-7-8(16)14(2)9(17)15(3)11(7,10)6-13/h7H,4H2,1-3H3.
What are the key properties of 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile?
2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile has a molecular weight of 232.24 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethyl-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-1,8-dicarbonitrile is sourced from PubChem (CID 101157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).