5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione

C28H23NO4 — CID 132509400

IUPAC5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione
SMILESCC(=O)C1=C(c2ccccc2)OC(=O)CC12C(=O)N(Cc1ccccc1)c1ccc(C)cc12
InChIInChI=1S/C28H23NO4/c1-18-13-14-23-22(15-18)28(27(32)29(23)17-20-9-5-3-6-10-20)16-24(31)33-26(25(28)19(2)30)21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3
InChIKeyWIESOZBUOIMSBL-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.73
Rot. Bonds4

About 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione

5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione (PubChem CID 132509400) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione
PubChem CID132509400
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione
SMILESCC(=O)C1=C(c2ccccc2)OC(=O)CC12C(=O)N(Cc1ccccc1)c1ccc(C)cc12
InChIInChI=1S/C28H23NO4/c1-18-13-14-23-22(15-18)28(27(32)29(23)17-20-9-5-3-6-10-20)16-24(31)33-26(25(28)19(2)30)21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3
InChIKeyWIESOZBUOIMSBL-UHFFFAOYSA-N
XLogP4.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
CID 122213350
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538
1'-benzyl-3-(3-chlorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015206
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
CID 132544016
CID 132544016
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
(2R)-1'-benzyl-3-(3-fluorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180546
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
(2R)-1'-benzyl-3-(3-methoxybenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180554
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione?
The IUPAC name of 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione (CID 132509400) is 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione.
What is the SMILES notation for 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione?
The canonical SMILES for 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione is CC(=O)C1=C(c2ccccc2)OC(=O)CC12C(=O)N(Cc1ccccc1)c1ccc(C)cc12.
What is the InChIKey of 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione?
The InChIKey is WIESOZBUOIMSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO4/c1-18-13-14-23-22(15-18)28(27(32)29(23)17-20-9-5-3-6-10-20)16-24(31)33-26(25(28)19(2)30)21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3.
What are the key properties of 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione?
5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione has a molecular weight of 437.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione is sourced from PubChem (CID 132509400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).