2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione

C25H24N2O7 — CID 108750406

About 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 108750406) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
• PubChem CID: 108750406
• Molecular Formula: C25H24N2O7
• Molecular Weight: 464.47 g/mol
• Exact Mass: 464.16
• IUPAC Name: 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
• SMILES: COc1cc(OC)c2c(c1)OC1(CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC1)CC2=O
• InChI: InChI=1S/C25H24N2O7/c1-32-15-11-19(33-2)22-18(28)13-25(34-20(22)12-15)7-9-26(10-8-25)21(29)14-27-23(30)16-5-3-4-6-17(16)24(27)31/h3-6,11-12H,7-10,13-14H2,1-2H3
• InChIKey: UPMYVXPSDKIKTI-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 102.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione (CID 108750406) is 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione is COc1cc(OC)c2c(c1)OC1(CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC1)CC2=O.

What is the InChIKey of 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

The InChIKey is UPMYVXPSDKIKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-32-15-11-19(33-2)22-18(28)13-25(34-20(22)12-15)7-9-26(10-8-25)21(29)14-27-23(30)16-5-3-4-6-17(16)24(27)31/h3-6,11-12H,7-10,13-14H2,1-2H3.

What are the key properties of 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 464.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 108750406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).