3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

C8H12N2O2 — CID 10702255

IUPAC3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESCN1NC(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C8H12N2O2/c1-8(2)4-5(8)7(12)10(3)9-6(4)11/h4-5H,1-3H3,(H,9,11)
InChIKeyFKOMPZBIVCSMJG-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.24
Rot. Bonds

About 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione

3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (PubChem CID 10702255) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.

Molecular Properties

Compound Name3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
PubChem CID10702255
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESCN1NC(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C8H12N2O2/c1-8(2)4-5(8)7(12)10(3)9-6(4)11/h4-5H,1-3H3,(H,9,11)
InChIKeyFKOMPZBIVCSMJG-UHFFFAOYSA-N
XLogP-0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The IUPAC name of 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (CID 10702255) is 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.
What is the SMILES notation for 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The canonical SMILES for 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is CN1NC(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The InChIKey is FKOMPZBIVCSMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2)4-5(8)7(12)10(3)9-6(4)11/h4-5H,1-3H3,(H,9,11).
What are the key properties of 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is sourced from PubChem (CID 10702255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).