ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate

C11H10FNO3 — CID 11195429

IUPACethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
SMILESCCOC(=O)C1(F)C(=O)Nc2ccccc21
InChIInChI=1S/C11H10FNO3/c1-2-16-10(15)11(12)7-5-3-4-6-8(7)13-9(11)14/h3-6H,2H2,1H3,(H,13,14)
InChIKeyYJQZGCHDEBEHEJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.37
Rot. Bonds2

About ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate

ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate (PubChem CID 11195429) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
PubChem CID11195429
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Nameethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
SMILESCCOC(=O)C1(F)C(=O)Nc2ccccc21
InChIInChI=1S/C11H10FNO3/c1-2-16-10(15)11(12)7-5-3-4-6-8(7)13-9(11)14/h3-6H,2H2,1H3,(H,13,14)
InChIKeyYJQZGCHDEBEHEJ-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
ethyl (4S)-4-hydroxy-3-methyl-2-oxo-1H-quinazoline-4-carboxylate
CID 744798
ethane;ethyl 2-oxo-7b-[(E)-pent-1-enyl]-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
CID 91087628
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate
CID 102100177
ethane;3-(2-ethoxyethyl)-3-methyl-1H-indol-2-one;ethyl propanoate
CID 143412746
ethyl (4S)-4-benzyl-2,3-dioxo-1H-quinoline-4-carboxylate
CID 102347352
ethyl 2-ethyl-3-oxo-1-propyl-4H-quinoxaline-2-carboxylate
CID 132559506
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
CID 43842432
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate?
The IUPAC name of ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate (CID 11195429) is ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate is CCOC(=O)C1(F)C(=O)Nc2ccccc21.
What is the InChIKey of ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate?
The InChIKey is YJQZGCHDEBEHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-2-16-10(15)11(12)7-5-3-4-6-8(7)13-9(11)14/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate?
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate is sourced from PubChem (CID 11195429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).