7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

C21H25N3O2 — CID 176502958

About 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176502958) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 176502958
• Molecular Formula: C21H25N3O2
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.19
• IUPAC Name: 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: C/C(=C\c1ccco1)CN1CCC2(CCN(Cc3ccccn3)C2=O)C1
• InChI: InChI=1S/C21H25N3O2/c1-17(13-19-6-4-12-26-19)14-23-10-7-21(16-23)8-11-24(20(21)25)15-18-5-2-3-9-22-18/h2-6,9,12-13H,7-8,10-11,14-16H2,1H3/b17-13+
• InChIKey: JYZDBJTVHLWPJV-GHRIWEEISA-N
• XLogP: 3.20
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 176502958) is 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is C/C(=C\c1ccco1)CN1CCC2(CCN(Cc3ccccn3)C2=O)C1.

What is the InChIKey of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is JYZDBJTVHLWPJV-GHRIWEEISA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17(13-19-6-4-12-26-19)14-23-10-7-21(16-23)8-11-24(20(21)25)15-18-5-2-3-9-22-18/h2-6,9,12-13H,7-8,10-11,14-16H2,1H3/b17-13+.

What are the key properties of 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176502958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).