6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione

C16H15F3N2O3 — CID 156772245

IUPAC6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
SMILESCOc1ccc2c(c1)N(C)C(=O)C21CC=CC(=O)N1CC(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-20-12-8-10(24-2)5-6-11(12)15(14(20)23)7-3-4-13(22)21(15)9-16(17,18)19/h3-6,8H,7,9H2,1-2H3
InChIKeyBVGQIFPTLFUWBX-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.22
Rot. Bonds2

About 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione

6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione (PubChem CID 156772245) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
PubChem CID156772245
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
SMILESCOc1ccc2c(c1)N(C)C(=O)C21CC=CC(=O)N1CC(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c1-20-12-8-10(24-2)5-6-11(12)15(14(20)23)7-3-4-13(22)21(15)9-16(17,18)19/h3-6,8H,7,9H2,1-2H3
InChIKeyBVGQIFPTLFUWBX-UHFFFAOYSA-N
XLogP2.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione with MolForge

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Related Compounds

1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
CID 156772233
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602
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
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
ethyl 3-fluoro-5-methoxy-1-methyl-2-oxoindole-3-carboxylate
CID 162342797
(5Z)-1'-ethyl-6'-methoxy-5-(thiophen-2-ylmethylidene)spiro[furan-2,3'-indole]-2'-one
CID 54761923
3-(5-methoxy-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 122383976
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
CID 134957608
CID 134957608
6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
CID 10611170

Frequently Asked Questions

What is the IUPAC name of 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
The IUPAC name of 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione (CID 156772245) is 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione.
What is the SMILES notation for 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
The canonical SMILES for 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione is COc1ccc2c(c1)N(C)C(=O)C21CC=CC(=O)N1CC(F)(F)F.
What is the InChIKey of 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
The InChIKey is BVGQIFPTLFUWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-20-12-8-10(24-2)5-6-11(12)15(14(20)23)7-3-4-13(22)21(15)9-16(17,18)19/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione has a molecular weight of 340.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxy-1'-methyl-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione is sourced from PubChem (CID 156772245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).