5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

C24H20ClN3O5 — CID 4668080

IUPAC5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
SMILESO=C1C2C3CCCN3C3(C(=O)Nc4ccc(Cl)cc43)C2C(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H20ClN3O5/c25-12-3-5-15-14(10-12)24(23(31)26-15)20-19(16-2-1-7-27(16)24)21(29)28(22(20)30)13-4-6-17-18(11-13)33-9-8-32-17/h3-6,10-11,16,19-20H,1-2,7-9H2,(H,26,31)
InChIKeyINSOEGISNFOBEP-UHFFFAOYSA-N
MW465.89 g/mol
LogP2.54
Rot. Bonds1

About 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione

5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (PubChem CID 4668080) has the molecular formula C24H20ClN3O5 and a molecular weight of 465.89 g/mol. Its IUPAC name is 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.

Molecular Properties

Compound Name5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
PubChem CID4668080
Molecular FormulaC24H20ClN3O5
Molecular Weight465.89 g/mol
Exact Mass465.11
IUPAC Name5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
SMILESO=C1C2C3CCCN3C3(C(=O)Nc4ccc(Cl)cc43)C2C(=O)N1c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H20ClN3O5/c25-12-3-5-15-14(10-12)24(23(31)26-15)20-19(16-2-1-7-27(16)24)21(29)28(22(20)30)13-4-6-17-18(11-13)33-9-8-32-17/h3-6,10-11,16,19-20H,1-2,7-9H2,(H,26,31)
InChIKeyINSOEGISNFOBEP-UHFFFAOYSA-N
XLogP2.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
The IUPAC name of 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione (CID 4668080) is 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.
What is the SMILES notation for 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
The canonical SMILES for 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is O=C1C2C3CCCN3C3(C(=O)Nc4ccc(Cl)cc43)C2C(=O)N1c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
The InChIKey is INSOEGISNFOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O5/c25-12-3-5-15-14(10-12)24(23(31)26-15)20-19(16-2-1-7-27(16)24)21(29)28(22(20)30)13-4-6-17-18(11-13)33-9-8-32-17/h3-6,10-11,16,19-20H,1-2,7-9H2,(H,26,31).
What are the key properties of 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione?
5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione has a molecular weight of 465.89 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione is sourced from PubChem (CID 4668080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).