11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C22H26N2O3 — CID 73148356

About 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 73148356) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 73148356
• Molecular Formula: C22H26N2O3
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: COCCC(=O)N1CC2CC(C1)c1ccc(-c3ccccc3C)c(=O)n1C2
• InChI: InChI=1S/C22H26N2O3/c1-15-5-3-4-6-18(15)19-7-8-20-17-11-16(13-24(20)22(19)26)12-23(14-17)21(25)9-10-27-2/h3-8,16-17H,9-14H2,1-2H3
• InChIKey: ZVBAOYICPSCQGV-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 51.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 73148356) is 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is COCCC(=O)N1CC2CC(C1)c1ccc(-c3ccccc3C)c(=O)n1C2.

What is the InChIKey of 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is ZVBAOYICPSCQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-5-3-4-6-18(15)19-7-8-20-17-11-16(13-24(20)22(19)26)12-23(14-17)21(25)9-10-27-2/h3-8,16-17H,9-14H2,1-2H3.

What are the key properties of 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 366.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3-methoxypropanoyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 73148356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).