11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C19H26N2O3 — CID 3776075

About 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 3776075) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 3776075
• Molecular Formula: C19H26N2O3
• Molecular Weight: 330.43 g/mol
• Exact Mass: 330.19
• IUPAC Name: 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: CC(CC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)C1CCCO1
• InChI: InChI=1S/C19H26N2O3/c1-13(17-5-3-7-24-17)8-19(23)20-10-14-9-15(12-20)16-4-2-6-18(22)21(16)11-14/h2,4,6,13-15,17H,3,5,7-12H2,1H3
• InChIKey: FNQIHUVJKLTAFE-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 51.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.43
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 3776075) is 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

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

The canonical SMILES for 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is CC(CC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)C1CCCO1.

What is the InChIKey of 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is FNQIHUVJKLTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(17-5-3-7-24-17)8-19(23)20-10-14-9-15(12-20)16-4-2-6-18(22)21(16)11-14/h2,4,6,13-15,17H,3,5,7-12H2,1H3.

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

11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 330.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(oxolan-2-yl)butanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 3776075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).