[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate

C19H19FN2O4 — CID 27277776

IUPAC[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19FN2O4/c20-15-6-2-1-5-13(15)10-18(24)26-12-17(23)14-9-16(21-11-14)19(25)22-7-3-4-8-22/h1-2,5-6,9,11,21H,3-4,7-8,10,12H2
InChIKeyDCXFGFLWHHVQTE-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.36
Rot. Bonds6

About [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate (PubChem CID 27277776) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate
PubChem CID27277776
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H19FN2O4/c20-15-6-2-1-5-13(15)10-18(24)26-12-17(23)14-9-16(21-11-14)19(25)22-7-3-4-8-22/h1-2,5-6,9,11,21H,3-4,7-8,10,12H2
InChIKeyDCXFGFLWHHVQTE-UHFFFAOYSA-N
XLogP2.36
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-chlorophenoxy)acetate
CID 27237169
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-bromobenzoate
CID 40755229
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4-carbamoylbenzoate
CID 31805396
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-hydroxybenzoate
CID 40755615
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 55445266
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
2-[(2-bromophenyl)methylsulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 55436712
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3,4-dichlorobenzoate
CID 27269739
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 42450780
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 9381176
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701684

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate (CID 27277776) is [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is DCXFGFLWHHVQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-15-6-2-1-5-13(15)10-18(24)26-12-17(23)14-9-16(21-11-14)19(25)22-7-3-4-8-22/h1-2,5-6,9,11,21H,3-4,7-8,10,12H2.
What are the key properties of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate?
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 358.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 27277776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).