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

C17H14N2O3 — CID 132531797

IUPAC(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
SMILESCOc1ccc2c(c1)[C@]1(Nc3ccccc3C1=O)C(=O)N2C
InChIInChI=1S/C17H14N2O3/c1-19-14-8-7-10(22-2)9-12(14)17(16(19)21)15(20)11-5-3-4-6-13(11)18-17/h3-9,18H,1-2H3/t17-/m1/s1
InChIKeyVCHZWNSUQUTXEC-QGZVFWFLSA-N
MW294.31 g/mol
LogP2.18
Rot. Bonds1

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

(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione (PubChem CID 132531797) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione.

Molecular Properties

Compound Name(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
PubChem CID132531797
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione
SMILESCOc1ccc2c(c1)[C@]1(Nc3ccccc3C1=O)C(=O)N2C
InChIInChI=1S/C17H14N2O3/c1-19-14-8-7-10(22-2)9-12(14)17(16(19)21)15(20)11-5-3-4-6-13(11)18-17/h3-9,18H,1-2H3/t17-/m1/s1
InChIKeyVCHZWNSUQUTXEC-QGZVFWFLSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
5'-methoxy-1'-methyl-1-(trifluoromethyl)spiro[1,2-dihydroisoindole-3,3'-indole]-2'-one
CID 151364921
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
CID 755391
(3R)-3-hydroxy-4-[2-(3-methoxyphenyl)-3-oxo-1H-indol-2-yl]-1-methylpyrrolidine-2,5-dione
CID 175172136
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
2-[(3R)-5-methoxy-1,3-dimethyl-2-oxoindol-3-yl]acetaldehyde
CID 24950980
methyl (2'R,3S,3'S,4'S)-5-methoxy-1,4'-dimethyl-2-oxo-2'-phenylspiro[indole-3,5'-pyrrolidine]-3'-carboxylate
CID 138967187
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551612

Frequently Asked Questions

What is the IUPAC name of (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione?
The IUPAC name of (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione (CID 132531797) is (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione.
What is the SMILES notation for (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione?
The canonical SMILES for (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione is COc1ccc2c(c1)[C@]1(Nc3ccccc3C1=O)C(=O)N2C.
What is the InChIKey of (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione?
The InChIKey is VCHZWNSUQUTXEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-19-14-8-7-10(22-2)9-12(14)17(16(19)21)15(20)11-5-3-4-6-13(11)18-17/h3-9,18H,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione?
(2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione has a molecular weight of 294.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5'-methoxy-1'-methylspiro[1H-indole-2,3'-indole]-2',3-dione is sourced from PubChem (CID 132531797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).