7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione

C10H16N2O2 — CID 23044136

IUPAC7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione
SMILESCC1(C)C2C(=O)CC(=O)NN2C1(C)C
InChIInChI=1S/C10H16N2O2/c1-9(2)8-6(13)5-7(14)11-12(8)10(9,3)4/h8H,5H2,1-4H3,(H,11,14)
InChIKeyDTFFDANKLWLBQR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.48
Rot. Bonds

About 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione

7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione (PubChem CID 23044136) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione.

Molecular Properties

Compound Name7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione
PubChem CID23044136
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione
SMILESCC1(C)C2C(=O)CC(=O)NN2C1(C)C
InChIInChI=1S/C10H16N2O2/c1-9(2)8-6(13)5-7(14)11-12(8)10(9,3)4/h8H,5H2,1-4H3,(H,11,14)
InChIKeyDTFFDANKLWLBQR-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione?
The IUPAC name of 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione (CID 23044136) is 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione.
What is the SMILES notation for 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione?
The canonical SMILES for 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione is CC1(C)C2C(=O)CC(=O)NN2C1(C)C.
What is the InChIKey of 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione?
The InChIKey is DTFFDANKLWLBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-9(2)8-6(13)5-7(14)11-12(8)10(9,3)4/h8H,5H2,1-4H3,(H,11,14).
What are the key properties of 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione?
7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8-tetramethyl-1,2-diazabicyclo[4.2.0]octane-3,5-dione is sourced from PubChem (CID 23044136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).