1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

C19H20N2O — CID 40526644

IUPAC1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C19H20N2O/c22-19-11-6-12-21(19)18-13-17(14-7-2-1-3-8-14)20-16-10-5-4-9-15(16)18/h1-5,7-10,17-18,20H,6,11-13H2/t17-,18-/m1/s1
InChIKeyVAGNKUQGTBABTE-QZTJIDSGSA-N
MW292.38 g/mol
LogP3.91
Rot. Bonds2

About 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (PubChem CID 40526644) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
PubChem CID40526644
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21
InChIInChI=1S/C19H20N2O/c22-19-11-6-12-21(19)18-13-17(14-7-2-1-3-8-14)20-16-10-5-4-9-15(16)18/h1-5,7-10,17-18,20H,6,11-13H2/t17-,18-/m1/s1
InChIKeyVAGNKUQGTBABTE-QZTJIDSGSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,4S)-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 45103334
1-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 102178991
1-[(2S,4S)-6-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]azepan-2-one
CID 46866851
[4-(2-oxopyrrolidin-1-yl)-2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl] thiocyanate
CID 58956734
1-[(2S,4S)-2-(5-nitrofuran-2-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 139216088
(2S,4S)-2-phenyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 10333801
1-(8-bromo-6-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl)pyrrolidin-2-one
CID 58956839
1-[6-tert-butyl-2-(3-hydroxyphenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 58956827
1-[6-tert-butyl-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 58956578
1-[(2S,4S)-2-(3-hydroxyphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 58956823
1-[(2S,4S)-6-methoxy-2-phenanthren-9-yl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one
CID 71456666
1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
CID 11252890

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one (CID 40526644) is 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is O=C1CCCN1[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21.
What is the InChIKey of 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
The InChIKey is VAGNKUQGTBABTE-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19-11-6-12-21(19)18-13-17(14-7-2-1-3-8-14)20-16-10-5-4-9-15(16)18/h1-5,7-10,17-18,20H,6,11-13H2/t17-,18-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one?
1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 40526644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).