methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate

C13H12FNO4 — CID 82667149

IUPACmethyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cc(F)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C13H12FNO4/c1-6-8-3-7(10(16)5-11(17)19-2)4-9(14)12(8)15-13(6)18/h3-4,6H,5H2,1-2H3,(H,15,18)
InChIKeyKUSNOQJBCHZTDJ-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.63
Rot. Bonds3

About methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate

methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate (PubChem CID 82667149) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate
PubChem CID82667149
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Namemethyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cc(F)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C13H12FNO4/c1-6-8-3-7(10(16)5-11(17)19-2)4-9(14)12(8)15-13(6)18/h3-4,6H,5H2,1-2H3,(H,15,18)
InChIKeyKUSNOQJBCHZTDJ-UHFFFAOYSA-N
XLogP1.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate with MolForge

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Related Compounds

7-fluoro-5-hydroxy-3-methyl-1,3-dihydroindol-2-one
CID 84657706
methyl 3-(3,4-difluorophenyl)-3-oxopropanoate
CID 79023808
methyl 3-(3,5-difluorophenyl)-3-oxopropanoate
CID 69051625
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173591
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
CID 82173571
methyl 3-(3-fluoro-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95463518
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319
7-fluoro-5-[hydroxy-(4-methylphenyl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173579
methyl 3-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxopropanoate
CID 82666291
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
7-(4-aminobutyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82190636
CID 59759171
CID 59759171

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate (CID 82667149) is methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate is COC(=O)CC(=O)c1cc(F)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate?
The InChIKey is KUSNOQJBCHZTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-6-8-3-7(10(16)5-11(17)19-2)4-9(14)12(8)15-13(6)18/h3-4,6H,5H2,1-2H3,(H,15,18).
What are the key properties of methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate?
methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate has a molecular weight of 265.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-fluoro-3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-oxopropanoate is sourced from PubChem (CID 82667149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).