(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione

C20H17NO3 — CID 122213350

IUPAC(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
SMILESCc1ccc2c(c1)[C@]1(CC=CC(=O)O1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C20H17NO3/c1-14-9-10-17-16(12-14)20(11-5-8-18(22)24-20)19(23)21(17)13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3/t20-/m1/s1
InChIKeyUZFHWNWVYNWJSE-HXUWFJFHSA-N
MW319.36 g/mol
LogP3.24
Rot. Bonds2

About (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione

(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione (PubChem CID 122213350) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
PubChem CID122213350
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
SMILESCc1ccc2c(c1)[C@]1(CC=CC(=O)O1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C20H17NO3/c1-14-9-10-17-16(12-14)20(11-5-8-18(22)24-20)19(23)21(17)13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3/t20-/m1/s1
InChIKeyUZFHWNWVYNWJSE-HXUWFJFHSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
1'-benzyl-5',7-dimethylspiro[3,4-dihydro-2H-cyclopenta[b]quinoline-9,3'-indole]-1,2'-dione
CID 102235008
CID 132544016
CID 132544016
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538
5-acetyl-1'-benzyl-5'-methyl-6-phenylspiro[3H-pyran-4,3'-indole]-2,2'-dione
CID 132509400
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
1'-benzyl-3-(3-chlorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015206
(2R)-1'-benzyl-3-(3-fluorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180546

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione?
The IUPAC name of (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione (CID 122213350) is (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione.
What is the SMILES notation for (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione?
The canonical SMILES for (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione is Cc1ccc2c(c1)[C@]1(CC=CC(=O)O1)C(=O)N2Cc1ccccc1.
What is the InChIKey of (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione?
The InChIKey is UZFHWNWVYNWJSE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-9-10-17-16(12-14)20(11-5-8-18(22)24-20)19(23)21(17)13-15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione?
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione has a molecular weight of 319.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione is sourced from PubChem (CID 122213350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).