1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone

C28H23NO4 — CID 166441296

IUPAC1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone
SMILESCc1ccc(N2C(=O)CC3(C(=O)c4ccccc4C3=O)C2=O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C28H23NO4/c1-17-13-14-22(21(15-17)27(2,3)18-9-5-4-6-10-18)29-23(30)16-28(26(29)33)24(31)19-11-7-8-12-20(19)25(28)32/h4-15H,16H2,1-3H3
InChIKeyXSYQDEQTUJBNRM-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.65
Rot. Bonds3

About 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone

1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone (PubChem CID 166441296) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone.

Molecular Properties

Compound Name1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone
PubChem CID166441296
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone
SMILESCc1ccc(N2C(=O)CC3(C(=O)c4ccccc4C3=O)C2=O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C28H23NO4/c1-17-13-14-22(21(15-17)27(2,3)18-9-5-4-6-10-18)29-23(30)16-28(26(29)33)24(31)19-11-7-8-12-20(19)25(28)32/h4-15H,16H2,1-3H3
InChIKeyXSYQDEQTUJBNRM-UHFFFAOYSA-N
XLogP4.65
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

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(1R,3aS,6aS)-5-(2,4-dimethylphenyl)-1-phenylspiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 124795292
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(1S,3aS,6aS)-1-(4-chlorophenyl)-5-(2,4-dimethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 124794978
1-(4-methylphenyl)-5-[2-(trifluoromethyl)phenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
CID 2890685

Frequently Asked Questions

What is the IUPAC name of 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone?
The IUPAC name of 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone (CID 166441296) is 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone.
What is the SMILES notation for 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone?
The canonical SMILES for 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone is Cc1ccc(N2C(=O)CC3(C(=O)c4ccccc4C3=O)C2=O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone?
The InChIKey is XSYQDEQTUJBNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-17-13-14-22(21(15-17)27(2,3)18-9-5-4-6-10-18)29-23(30)16-28(26(29)33)24(31)19-11-7-8-12-20(19)25(28)32/h4-15H,16H2,1-3H3.
What are the key properties of 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone?
1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone has a molecular weight of 437.50 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-methyl-2-(2-phenylpropan-2-yl)phenyl]spiro[indene-2,3'-pyrrolidine]-1,2',3,5'-tetrone is sourced from PubChem (CID 166441296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).