2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C15H14N2O2 — CID 5309780

IUPAC2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC12C(=O)N(c3ccccn3)C(=O)C1C1C=CC2C1
InChIInChI=1S/C15H14N2O2/c1-15-10-6-5-9(8-10)12(15)13(18)17(14(15)19)11-4-2-3-7-16-11/h2-7,9-10,12H,8H2,1H3
InChIKeyFDYRSOBJYXDFRW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.78
Rot. Bonds1

About 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 5309780) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID5309780
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC12C(=O)N(c3ccccn3)C(=O)C1C1C=CC2C1
InChIInChI=1S/C15H14N2O2/c1-15-10-6-5-9(8-10)12(15)13(18)17(14(15)19)11-4-2-3-7-16-11/h2-7,9-10,12H,8H2,1H3
InChIKeyFDYRSOBJYXDFRW-UHFFFAOYSA-N
XLogP1.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.78
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 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 5309780) is 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC12C(=O)N(c3ccccn3)C(=O)C1C1C=CC2C1.
What is the InChIKey of 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is FDYRSOBJYXDFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-15-10-6-5-9(8-10)12(15)13(18)17(14(15)19)11-4-2-3-7-16-11/h2-7,9-10,12H,8H2,1H3.
What are the key properties of 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 5309780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).