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

C26H23NO5 — CID 2835185

IUPAC5-cyclohexyl-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)N1C1CCCCC1
InChIInChI=1S/C26H23NO5/c28-22-17-13-7-8-14-18(17)23(29)26(22)20-19(21(32-26)15-9-3-1-4-10-15)24(30)27(25(20)31)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19-21H,2,5-6,11-12H2
InChIKeyCEOFLJUWINRSDL-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.51
Rot. Bonds2

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

5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 2835185) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

Compound Name5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
PubChem CID2835185
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name5-cyclohexyl-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)N1C1CCCCC1
InChIInChI=1S/C26H23NO5/c28-22-17-13-7-8-14-18(17)23(29)26(22)20-19(21(32-26)15-9-3-1-4-10-15)24(30)27(25(20)31)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19-21H,2,5-6,11-12H2
InChIKeyCEOFLJUWINRSDL-UHFFFAOYSA-N
XLogP3.51
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The IUPAC name of 5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 2835185) is 5-cyclohexyl-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-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The canonical SMILES for 5-cyclohexyl-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)N1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The InChIKey is CEOFLJUWINRSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c28-22-17-13-7-8-14-18(17)23(29)26(22)20-19(21(32-26)15-9-3-1-4-10-15)24(30)27(25(20)31)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16,19-21H,2,5-6,11-12H2.
What are the key properties of 5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 429.47 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 2835185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).