N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide

C18H19N3O4 — CID 7155523

About N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide

N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide (PubChem CID 7155523) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
• PubChem CID: 7155523
• Molecular Formula: C18H19N3O4
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.14
• IUPAC Name: N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
• SMILES: CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccco3)c(=O)n1C2
• InChI: InChI=1S/C18H19N3O4/c1-11(22)20-8-12-7-13(10-20)15-5-4-14(18(24)21(15)9-12)19-17(23)16-3-2-6-25-16/h2-6,12-13H,7-10H2,1H3,(H,19,23)/t12-,13+/m0/s1
• InChIKey: ACNBUILLCXTCPT-QWHCGFSZSA-N
• XLogP: 1.66
• TPSA: 84.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

The IUPAC name of N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide (CID 7155523) is N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

The canonical SMILES for N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide is CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccco3)c(=O)n1C2.

What is the InChIKey of N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

The InChIKey is ACNBUILLCXTCPT-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(22)20-8-12-7-13(10-20)15-5-4-14(18(24)21(15)9-12)19-17(23)16-3-2-6-25-16/h2-6,12-13H,7-10H2,1H3,(H,19,23)/t12-,13+/m0/s1.

What are the key properties of N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9S)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide is sourced from PubChem (CID 7155523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).