ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate

C19H23FN2O3 — CID 126841837

IUPACethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)C1CCN(C(=O)c2cc3c(C)c(C)ccc3[nH]2)C1
InChIInChI=1S/C19H23FN2O3/c1-4-25-19(24)17(20)13-7-8-22(10-13)18(23)16-9-14-12(3)11(2)5-6-15(14)21-16/h5-6,9,13,17,21H,4,7-8,10H2,1-3H3
InChIKeyWYQGGLQCMYVDDJ-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.15
Rot. Bonds4

About ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate

ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate (PubChem CID 126841837) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate
PubChem CID126841837
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nameethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate
SMILESCCOC(=O)C(F)C1CCN(C(=O)c2cc3c(C)c(C)ccc3[nH]2)C1
InChIInChI=1S/C19H23FN2O3/c1-4-25-19(24)17(20)13-7-8-22(10-13)18(23)16-9-14-12(3)11(2)5-6-15(14)21-16/h5-6,9,13,17,21H,4,7-8,10H2,1-3H3
InChIKeyWYQGGLQCMYVDDJ-UHFFFAOYSA-N
XLogP3.15
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1H-indole-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117522
ethyl 2-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]acetate
CID 70848389
ethyl (2S)-2-fluoro-2-[1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)azetidin-3-yl]acetate
CID 125144131
(2R,3R)-1-(4,5-dimethyl-1H-indole-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116544
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
N-[3,3-bis(hydroxymethyl)cyclobutyl]-4,5-dimethyl-1H-indole-2-carboxamide
CID 126842139
2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 119202881
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate?
The IUPAC name of ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate (CID 126841837) is ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate.
What is the SMILES notation for ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate?
The canonical SMILES for ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate is CCOC(=O)C(F)C1CCN(C(=O)c2cc3c(C)c(C)ccc3[nH]2)C1.
What is the InChIKey of ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate?
The InChIKey is WYQGGLQCMYVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-4-25-19(24)17(20)13-7-8-22(10-13)18(23)16-9-14-12(3)11(2)5-6-15(14)21-16/h5-6,9,13,17,21H,4,7-8,10H2,1-3H3.
What are the key properties of ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate?
ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate has a molecular weight of 346.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4,5-dimethyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]-2-fluoroacetate is sourced from PubChem (CID 126841837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).