4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C11H11NO3 — CID 548777

IUPAC4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(=O)N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C11H11NO3/c1-5(13)12-10(14)8-6-2-3-7(4-6)9(8)11(12)15/h2-3,6-9H,4H2,1H3
InChIKeyZGJQRRSHJPBFOU-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.34
Rot. Bonds

About 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 548777) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID548777
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(=O)N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C11H11NO3/c1-5(13)12-10(14)8-6-2-3-7(4-6)9(8)11(12)15/h2-3,6-9H,4H2,1H3
InChIKeyZGJQRRSHJPBFOU-UHFFFAOYSA-N
XLogP0.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 548777) is 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC(=O)N1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is ZGJQRRSHJPBFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-5(13)12-10(14)8-6-2-3-7(4-6)9(8)11(12)15/h2-3,6-9H,4H2,1H3.
What are the key properties of 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 548777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).