(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one

C16H19ClN2O3 — CID 124729288

IUPAC(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C16H19ClN2O3/c1-10-9-22-14(11-3-2-4-13(17)5-11)8-19(10)16(21)12-6-15(20)18-7-12/h2-5,10,12,14H,6-9H2,1H3,(H,18,20)/t10-,12+,14+/m1/s1
InChIKeyFYMBIUHHDUTAQZ-OSMZGAPFSA-N
MW322.79 g/mol
LogP1.76
Rot. Bonds2

About (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one

(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 124729288) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID124729288
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESC[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C16H19ClN2O3/c1-10-9-22-14(11-3-2-4-13(17)5-11)8-19(10)16(21)12-6-15(20)18-7-12/h2-5,10,12,14H,6-9H2,1H3,(H,18,20)/t10-,12+,14+/m1/s1
InChIKeyFYMBIUHHDUTAQZ-OSMZGAPFSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 99823473
5-[2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyrrole-3-carbonitrile
CID 119034470
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
cyclohexyl-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369447

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one (CID 124729288) is (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one is C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is FYMBIUHHDUTAQZ-OSMZGAPFSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-10-9-22-14(11-3-2-4-13(17)5-11)8-19(10)16(21)12-6-15(20)18-7-12/h2-5,10,12,14H,6-9H2,1H3,(H,18,20)/t10-,12+,14+/m1/s1.
What are the key properties of (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one?
(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 322.79 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 124729288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).