6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one

C18H17NO3 — CID 75307712

IUPAC6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one
SMILESCOc1ccc2c(c1)CC(C)OC21C(=O)Nc2ccccc21
InChIInChI=1S/C18H17NO3/c1-11-9-12-10-13(21-2)7-8-14(12)18(22-11)15-5-3-4-6-16(15)19-17(18)20/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyJAZPVBXOMXUZHQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.85
Rot. Bonds1

About 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one

6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one (PubChem CID 75307712) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one.

Molecular Properties

Compound Name6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one
PubChem CID75307712
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one
SMILESCOc1ccc2c(c1)CC(C)OC21C(=O)Nc2ccccc21
InChIInChI=1S/C18H17NO3/c1-11-9-12-10-13(21-2)7-8-14(12)18(22-11)15-5-3-4-6-16(15)19-17(18)20/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyJAZPVBXOMXUZHQ-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160
3-hydroxy-3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-1H-indol-2-one
CID 2864705
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499
(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721891
(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione
CID 166624788
(4'aS,10'bS)-9'-methoxyspiro[1H-indole-3,5'-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]quinoline]-2-one
CID 139218182
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
2'-amino-6-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 84721821
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
CID 14874013

Frequently Asked Questions

What is the IUPAC name of 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one?
The IUPAC name of 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one (CID 75307712) is 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one.
What is the SMILES notation for 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one?
The canonical SMILES for 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one is COc1ccc2c(c1)CC(C)OC21C(=O)Nc2ccccc21.
What is the InChIKey of 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one?
The InChIKey is JAZPVBXOMXUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-9-12-10-13(21-2)7-8-14(12)18(22-11)15-5-3-4-6-16(15)19-17(18)20/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one?
6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one is sourced from PubChem (CID 75307712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).