(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one

C17H21FN2O3 — CID 95174415

IUPAC(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1=O
InChIInChI=1S/C17H21FN2O3/c1-2-19-10-12(9-16(19)21)17(22)20-7-8-23-15(11-20)13-5-3-4-6-14(13)18/h3-6,12,15H,2,7-11H2,1H3/t12-,15-/m0/s1
InChIKeyFZPMSDADDXEUFL-WFASDCNBSA-N
MW320.36 g/mol
LogP1.59
Rot. Bonds3

About (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 95174415) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID95174415
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1=O
InChIInChI=1S/C17H21FN2O3/c1-2-19-10-12(9-16(19)21)17(22)20-7-8-23-15(11-20)13-5-3-4-6-14(13)18/h3-6,12,15H,2,7-11H2,1H3/t12-,15-/m0/s1
InChIKeyFZPMSDADDXEUFL-WFASDCNBSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-ethyl-4-[(2S)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 97099734
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate
CID 110609370
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
trans-(1R,2R)-2-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 125132103
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 94098725
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
1-[2-(2-fluorophenyl)morpholin-4-yl]-5-phenylpentane-1,5-dione
CID 110416386
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one (CID 95174415) is (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one is CCN1C[C@@H](C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is FZPMSDADDXEUFL-WFASDCNBSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-2-19-10-12(9-16(19)21)17(22)20-7-8-23-15(11-20)13-5-3-4-6-14(13)18/h3-6,12,15H,2,7-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95174415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).