10-azatricyclo[5.4.0.01,5]undecane-4,11-dione

C10H13NO2 — CID 55280629

IUPAC10-azatricyclo[5.4.0.01,5]undecane-4,11-dione
SMILESO=C1CCC23C(=O)NCCC2CC13
InChIInChI=1S/C10H13NO2/c12-8-1-3-10-6(5-7(8)10)2-4-11-9(10)13/h6-7H,1-5H2,(H,11,13)
InChIKeyRCUTVULYCSRHGI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.49
Rot. Bonds

About 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione

10-azatricyclo[5.4.0.01,5]undecane-4,11-dione (PubChem CID 55280629) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione.

Molecular Properties

Compound Name10-azatricyclo[5.4.0.01,5]undecane-4,11-dione
PubChem CID55280629
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name10-azatricyclo[5.4.0.01,5]undecane-4,11-dione
SMILESO=C1CCC23C(=O)NCCC2CC13
InChIInChI=1S/C10H13NO2/c12-8-1-3-10-6(5-7(8)10)2-4-11-9(10)13/h6-7H,1-5H2,(H,11,13)
InChIKeyRCUTVULYCSRHGI-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione?
The IUPAC name of 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione (CID 55280629) is 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione.
What is the SMILES notation for 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione?
The canonical SMILES for 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione is O=C1CCC23C(=O)NCCC2CC13.
What is the InChIKey of 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione?
The InChIKey is RCUTVULYCSRHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-8-1-3-10-6(5-7(8)10)2-4-11-9(10)13/h6-7H,1-5H2,(H,11,13).
What are the key properties of 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione?
10-azatricyclo[5.4.0.01,5]undecane-4,11-dione has a molecular weight of 179.22 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[5.4.0.01,5]undecane-4,11-dione is sourced from PubChem (CID 55280629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).