3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid

C11H10FNO3 — CID 103502359

IUPAC3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H10FNO3/c12-8-2-1-7-3-4-13(9(7)5-8)10(14)6-11(15)16/h1-2,5H,3-4,6H2,(H,15,16)
InChIKeyMOHNRDVYVWNJQG-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.19
Rot. Bonds2

About 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid

3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid (PubChem CID 103502359) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
PubChem CID103502359
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H10FNO3/c12-8-2-1-7-3-4-13(9(7)5-8)10(14)6-11(15)16/h1-2,5H,3-4,6H2,(H,15,16)
InChIKeyMOHNRDVYVWNJQG-UHFFFAOYSA-N
XLogP1.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 104872444
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 103500124
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid (CID 103502359) is 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid is O=C(O)CC(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid?
The InChIKey is MOHNRDVYVWNJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-2-1-7-3-4-13(9(7)5-8)10(14)6-11(15)16/h1-2,5H,3-4,6H2,(H,15,16).
What are the key properties of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid?
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid has a molecular weight of 223.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid is sourced from PubChem (CID 103502359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).