2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione

C25H24N2O5 — CID 108758078

About 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 108758078) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
• PubChem CID: 108758078
• Molecular Formula: C25H24N2O5
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.17
• IUPAC Name: 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
• SMILES: Cc1ccc2c(c1C)OC1(CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC1)CC2=O
• InChI: InChI=1S/C25H24N2O5/c1-15-7-8-19-20(28)13-25(32-22(19)16(15)2)9-11-26(12-10-25)21(29)14-27-23(30)17-5-3-4-6-18(17)24(27)31/h3-8H,9-14H2,1-2H3
• InChIKey: URJLGFOVSAJGQD-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 83.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

The IUPAC name of 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione (CID 108758078) is 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione is Cc1ccc2c(c1C)OC1(CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC1)CC2=O.

What is the InChIKey of 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

The InChIKey is URJLGFOVSAJGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-15-7-8-19-20(28)13-25(32-22(19)16(15)2)9-11-26(12-10-25)21(29)14-27-23(30)17-5-3-4-6-18(17)24(27)31/h3-8H,9-14H2,1-2H3.

What are the key properties of 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione?

2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 432.48 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 108758078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).