(1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione

C7H9NO2 — CID 124676724

IUPAC(1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione
SMILESO=C1CC[C@H]2C[C@H]1C(=O)N2
InChIInChI=1S/C7H9NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-5H,1-3H2,(H,8,10)/t4-,5+/m0/s1
InChIKeySXUUIKNYCYOWKO-CRCLSJGQSA-N
MW139.15 g/mol
LogP-0.15
Rot. Bonds

About (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione

(1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione (PubChem CID 124676724) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione.

Molecular Properties

Compound Name(1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione
PubChem CID124676724
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione
SMILESO=C1CC[C@H]2C[C@H]1C(=O)N2
InChIInChI=1S/C7H9NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-5H,1-3H2,(H,8,10)/t4-,5+/m0/s1
InChIKeySXUUIKNYCYOWKO-CRCLSJGQSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione?
The IUPAC name of (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione (CID 124676724) is (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione.
What is the SMILES notation for (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione?
The canonical SMILES for (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione is O=C1CC[C@H]2C[C@H]1C(=O)N2.
What is the InChIKey of (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione?
The InChIKey is SXUUIKNYCYOWKO-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H9NO2/c9-6-2-1-4-3-5(6)7(10)8-4/h4-5H,1-3H2,(H,8,10)/t4-,5+/m0/s1.
What are the key properties of (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione?
(1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione has a molecular weight of 139.15 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-azabicyclo[3.2.1]octane-2,7-dione is sourced from PubChem (CID 124676724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).