methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate

C11H10FNO3 — CID 132502466

IUPACmethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
SMILESCOC(=O)C1(F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H10FNO3/c1-13-8-6-4-3-5-7(8)11(12,9(13)14)10(15)16-2/h3-6H,1-2H3
InChIKeyMJVWJKMQEMMWDD-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.00
Rot. Bonds1

About methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate

methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate (PubChem CID 132502466) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
PubChem CID132502466
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
SMILESCOC(=O)C1(F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H10FNO3/c1-13-8-6-4-3-5-7(8)11(12,9(13)14)10(15)16-2/h3-6H,1-2H3
InChIKeyMJVWJKMQEMMWDD-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate?
The IUPAC name of methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate (CID 132502466) is methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate.
What is the SMILES notation for methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate?
The canonical SMILES for methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate is COC(=O)C1(F)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate?
The InChIKey is MJVWJKMQEMMWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-13-8-6-4-3-5-7(8)11(12,9(13)14)10(15)16-2/h3-6H,1-2H3.
What are the key properties of methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate?
methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate is sourced from PubChem (CID 132502466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).