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

C27H19NO6 — CID 4616731

IUPAC5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
SMILESCOc1ccccc1N1C(=O)C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O
InChIInChI=1S/C27H19NO6/c1-33-19-14-8-7-13-18(19)28-25(31)20-21(26(28)32)27(34-22(20)15-9-3-2-4-10-15)23(29)16-11-5-6-12-17(16)24(27)30/h2-14,20-22H,1H3
InChIKeyLWIKTGSKAFPMNH-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.39
Rot. Bonds3

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

5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 4616731) has the molecular formula C27H19NO6 and a molecular weight of 453.45 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
PubChem CID4616731
Molecular FormulaC27H19NO6
Molecular Weight453.45 g/mol
Exact Mass453.12
IUPAC Name5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
SMILESCOc1ccccc1N1C(=O)C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O
InChIInChI=1S/C27H19NO6/c1-33-19-14-8-7-13-18(19)28-25(31)20-21(26(28)32)27(34-22(20)15-9-3-2-4-10-15)23(29)16-11-5-6-12-17(16)24(27)30/h2-14,20-22H,1H3
InChIKeyLWIKTGSKAFPMNH-UHFFFAOYSA-N
XLogP3.39
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The IUPAC name of 5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 4616731) is 5-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The canonical SMILES for 5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is COc1ccccc1N1C(=O)C2C(c3ccccc3)OC3(C(=O)c4ccccc4C3=O)C2C1=O.
What is the InChIKey of 5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The InChIKey is LWIKTGSKAFPMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO6/c1-33-19-14-8-7-13-18(19)28-25(31)20-21(26(28)32)27(34-22(20)15-9-3-2-4-10-15)23(29)16-11-5-6-12-17(16)24(27)30/h2-14,20-22H,1H3.
What are the key properties of 5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 453.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 4616731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).