5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

C27H17NO7 — CID 4978696

IUPAC5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
SMILESO=C1C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C27H17NO7/c29-23-16-8-4-5-9-17(16)24(30)27(23)21-20(22(35-27)14-6-2-1-3-7-14)25(31)28(26(21)32)15-10-11-18-19(12-15)34-13-33-18/h1-12,20-22H,13H2
InChIKeyRXBBADNPSHEPGM-UHFFFAOYSA-N
MW467.43 g/mol
LogP3.11
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 4978696) has the molecular formula C27H17NO7 and a molecular weight of 467.43 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
PubChem CID4978696
Molecular FormulaC27H17NO7
Molecular Weight467.43 g/mol
Exact Mass467.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
SMILESO=C1C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C27H17NO7/c29-23-16-8-4-5-9-17(16)24(30)27(23)21-20(22(35-27)14-6-2-1-3-7-14)25(31)28(26(21)32)15-10-11-18-19(12-15)34-13-33-18/h1-12,20-22H,13H2
InChIKeyRXBBADNPSHEPGM-UHFFFAOYSA-N
XLogP3.11
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 4978696) is 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is O=C1C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C(=O)N1c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The InChIKey is RXBBADNPSHEPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO7/c29-23-16-8-4-5-9-17(16)24(30)27(23)21-20(22(35-27)14-6-2-1-3-7-14)25(31)28(26(21)32)15-10-11-18-19(12-15)34-13-33-18/h1-12,20-22H,13H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 467.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 4978696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).