1-azabicyclo[3.2.0]heptane-4,7-dione

C6H7NO2 — CID 19420326

IUPAC1-azabicyclo[3.2.0]heptane-4,7-dione
SMILESO=C1CCN2C(=O)CC12
InChIInChI=1S/C6H7NO2/c8-5-1-2-7-4(5)3-6(7)9/h4H,1-3H2
InChIKeyHDJIBPIRWZKGNK-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.44
Rot. Bonds

About 1-azabicyclo[3.2.0]heptane-4,7-dione

1-azabicyclo[3.2.0]heptane-4,7-dione (PubChem CID 19420326) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]heptane-4,7-dione.

Molecular Properties

Compound Name1-azabicyclo[3.2.0]heptane-4,7-dione
PubChem CID19420326
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-azabicyclo[3.2.0]heptane-4,7-dione
SMILESO=C1CCN2C(=O)CC12
InChIInChI=1S/C6H7NO2/c8-5-1-2-7-4(5)3-6(7)9/h4H,1-3H2
InChIKeyHDJIBPIRWZKGNK-UHFFFAOYSA-N
XLogP-0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79931975
4-oxo-4λ4-thia-1-azabicyclo[3.2.0]heptan-7-one
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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.0]heptane-4,7-dione?
The IUPAC name of 1-azabicyclo[3.2.0]heptane-4,7-dione (CID 19420326) is 1-azabicyclo[3.2.0]heptane-4,7-dione.
What is the SMILES notation for 1-azabicyclo[3.2.0]heptane-4,7-dione?
The canonical SMILES for 1-azabicyclo[3.2.0]heptane-4,7-dione is O=C1CCN2C(=O)CC12.
What is the InChIKey of 1-azabicyclo[3.2.0]heptane-4,7-dione?
The InChIKey is HDJIBPIRWZKGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-5-1-2-7-4(5)3-6(7)9/h4H,1-3H2.
What are the key properties of 1-azabicyclo[3.2.0]heptane-4,7-dione?
1-azabicyclo[3.2.0]heptane-4,7-dione has a molecular weight of 125.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.0]heptane-4,7-dione is sourced from PubChem (CID 19420326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).