5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C20H20N2O2S — CID 73133932

About 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 73133932) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 73133932
• Molecular Formula: C20H20N2O2S
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.12
• IUPAC Name: 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: O=c1c(-c2ccco2)ccc2n1CC1CC2CN(Cc2cccs2)C1
• InChI: InChI=1S/C20H20N2O2S/c23-20-17(19-4-1-7-24-19)5-6-18-15-9-14(11-22(18)20)10-21(12-15)13-16-3-2-8-25-16/h1-8,14-15H,9-13H2
• InChIKey: QBYHADYIODABSW-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 38.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 73133932) is 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1c(-c2ccco2)ccc2n1CC1CC2CN(Cc2cccs2)C1.

What is the InChIKey of 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is QBYHADYIODABSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-20-17(19-4-1-7-24-19)5-6-18-15-9-14(11-22(18)20)10-21(12-15)13-16-3-2-8-25-16/h1-8,14-15H,9-13H2.

What are the key properties of 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 352.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-11-(thiophen-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 73133932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).