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

C27H25NO5 — CID 2839809

IUPAC5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
SMILESCc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(C3CCCCC3)C(=O)C12
InChIInChI=1S/C27H25NO5/c1-15-9-5-6-12-17(15)22-20-21(26(32)28(25(20)31)16-10-3-2-4-11-16)27(33-22)23(29)18-13-7-8-14-19(18)24(27)30/h5-9,12-14,16,20-22H,2-4,10-11H2,1H3
InChIKeyGYDHLGWHEOWFJH-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.82
Rot. Bonds2

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

5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (PubChem CID 2839809) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone.

Molecular Properties

Compound Name5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
PubChem CID2839809
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
SMILESCc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(C3CCCCC3)C(=O)C12
InChIInChI=1S/C27H25NO5/c1-15-9-5-6-12-17(15)22-20-21(26(32)28(25(20)31)16-10-3-2-4-11-16)27(33-22)23(29)18-13-7-8-14-19(18)24(27)30/h5-9,12-14,16,20-22H,2-4,10-11H2,1H3
InChIKeyGYDHLGWHEOWFJH-UHFFFAOYSA-N
XLogP3.82
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.82
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-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The IUPAC name of 5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CID 2839809) is 5-cyclohexyl-1-(2-methylphenyl)spiro[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-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The canonical SMILES for 5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is Cc1ccccc1C1OC2(C(=O)c3ccccc3C2=O)C2C(=O)N(C3CCCCC3)C(=O)C12.
What is the InChIKey of 5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
The InChIKey is GYDHLGWHEOWFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-15-9-5-6-12-17(15)22-20-21(26(32)28(25(20)31)16-10-3-2-4-11-16)27(33-22)23(29)18-13-7-8-14-19(18)24(27)30/h5-9,12-14,16,20-22H,2-4,10-11H2,1H3.
What are the key properties of 5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone?
5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has a molecular weight of 443.50 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(2-methylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is sourced from PubChem (CID 2839809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).