4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one

C34H41N3O11 — CID 163177509

About 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one

4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one (PubChem CID 163177509) has the molecular formula C34H41N3O11 and a molecular weight of 667.71 g/mol. Its IUPAC name is 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one
• PubChem CID: 163177509
• Molecular Formula: C34H41N3O11
• Molecular Weight: 667.71 g/mol
• Exact Mass: 667.27
• IUPAC Name: 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one
• SMILES: Cc1cc(=O)c2cc3c(c(N4C=C5C=CN=C5C4)c2o1)OC1(CCCC(C2CNC(=O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3
• InChI: InChI=1S/C34H41N3O11/c1-17-7-24(39)22-8-20-9-27(48-45-16-26(41)31(44)30(43)25(40)15-38)34(5-2-3-18(11-34)21-10-28(42)36-12-21)47-32(20)29(33(22)46-17)37-13-19-4-6-35-23(19)14-37/h4,6-8,13,18,21,25-27,30-31,38,40-41,43-44H,2-3,5,9-12,14-16H2,1H3,(H,36,42)
• InChIKey: XVSXKRHUVWZRNO-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 203.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	667.71
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one?

The IUPAC name of 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one (CID 163177509) is 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one.

What is the SMILES notation for 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one?

The canonical SMILES for 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one is Cc1cc(=O)c2cc3c(c(N4C=C5C=CN=C5C4)c2o1)OC1(CCCC(C2CNC(=O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3.

What is the InChIKey of 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one?

The InChIKey is XVSXKRHUVWZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O11/c1-17-7-24(39)22-8-20-9-27(48-45-16-26(41)31(44)30(43)25(40)15-38)34(5-2-3-18(11-34)21-10-28(42)36-12-21)47-32(20)29(33(22)46-17)37-13-19-4-6-35-23(19)14-37/h4,6-8,13,18,21,25-27,30-31,38,40-41,43-44H,2-3,5,9-12,14-16H2,1H3,(H,36,42).

What are the key properties of 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one?

4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one has a molecular weight of 667.71 g/mol, XLogP of 0.53, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-methyl-6-oxo-3-(2,3,4,5,6-pentahydroxyhexylperoxy)-10-(6H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[3,4-dihydropyrano[3,2-g]chromene-2,3'-cyclohexane]-1'-yl]pyrrolidin-2-one is sourced from PubChem (CID 163177509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).