1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid

C13H12FNO3 — CID 117375432

IUPAC1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid
SMILESO=C1Cc2cc(F)cc(C3(C(=O)O)CCC3)c2N1
InChIInChI=1S/C13H12FNO3/c14-8-4-7-5-10(16)15-11(7)9(6-8)13(12(17)18)2-1-3-13/h4,6H,1-3,5H2,(H,15,16)(H,17,18)
InChIKeyJWCGKOJLXXRMLQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.83
Rot. Bonds2

About 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid

1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid (PubChem CID 117375432) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid
PubChem CID117375432
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid
SMILESO=C1Cc2cc(F)cc(C3(C(=O)O)CCC3)c2N1
InChIInChI=1S/C13H12FNO3/c14-8-4-7-5-10(16)15-11(7)9(6-8)13(12(17)18)2-1-3-13/h4,6H,1-3,5H2,(H,15,16)(H,17,18)
InChIKeyJWCGKOJLXXRMLQ-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117406571
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
CID 117364760
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337097
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid (CID 117375432) is 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid is O=C1Cc2cc(F)cc(C3(C(=O)O)CCC3)c2N1.
What is the InChIKey of 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid?
The InChIKey is JWCGKOJLXXRMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-8-4-7-5-10(16)15-11(7)9(6-8)13(12(17)18)2-1-3-13/h4,6H,1-3,5H2,(H,15,16)(H,17,18).
What are the key properties of 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid?
1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid has a molecular weight of 249.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117375432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).