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

C6H8N2O2 — CID 10844454

IUPAC3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESCN1NC(=O)C2CC2C1=O
InChIInChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9)
InChIKeyARHVCUDVPULNTH-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.87
Rot. Bonds

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

3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (PubChem CID 10844454) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.

Molecular Properties

Compound Name3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
PubChem CID10844454
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione
SMILESCN1NC(=O)C2CC2C1=O
InChIInChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9)
InChIKeyARHVCUDVPULNTH-UHFFFAOYSA-N
XLogP-0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The IUPAC name of 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione (CID 10844454) is 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione.
What is the SMILES notation for 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The canonical SMILES for 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is CN1NC(=O)C2CC2C1=O.
What is the InChIKey of 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
The InChIKey is ARHVCUDVPULNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-6(10)4-2-3(4)5(9)7-8/h3-4H,2H2,1H3,(H,7,9).
What are the key properties of 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione?
3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-diazabicyclo[4.1.0]heptane-2,5-dione is sourced from PubChem (CID 10844454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).