[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate

C20H18N2O3 — CID 7705295

IUPAC[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c21-14-15-7-6-10-17(13-15)20(24)25-18(16-8-2-1-3-9-16)19(23)22-11-4-5-12-22/h1-3,6-10,13,18H,4-5,11-12H2/t18-/m0/s1
InChIKeyZRGSLLZVMWTKSY-SFHVURJKSA-N
MW334.38 g/mol
LogP3.08
Rot. Bonds4

About [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate (PubChem CID 7705295) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
PubChem CID7705295
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c21-14-15-7-6-10-17(13-15)20(24)25-18(16-8-2-1-3-9-16)19(23)22-11-4-5-12-22/h1-3,6-10,13,18H,4-5,11-12H2/t18-/m0/s1
InChIKeyZRGSLLZVMWTKSY-SFHVURJKSA-N
XLogP3.08
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 71901975
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101152
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7704107

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate (CID 7705295) is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate is N#Cc1cccc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate?
The InChIKey is ZRGSLLZVMWTKSY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N2O3/c21-14-15-7-6-10-17(13-15)20(24)25-18(16-8-2-1-3-9-16)19(23)22-11-4-5-12-22/h1-3,6-10,13,18H,4-5,11-12H2/t18-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate?
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate has a molecular weight of 334.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate is sourced from PubChem (CID 7705295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).