3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one

C19H23FN2O3 — CID 71862195

IUPAC3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESCC(=Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C19H23FN2O3/c1-14(13-15-4-6-16(20)7-5-15)18(23)22-8-2-3-17(22)19(24)21-9-11-25-12-10-21/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyLYOJVAGPQSSZFG-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.08
Rot. Bonds3

About 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one

3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 71862195) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID71862195
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESCC(=Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C19H23FN2O3/c1-14(13-15-4-6-16(20)7-5-15)18(23)22-8-2-3-17(22)19(24)21-9-11-25-12-10-21/h4-7,13,17H,2-3,8-12H2,1H3
InChIKeyLYOJVAGPQSSZFG-UHFFFAOYSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-2-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 110305915
[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 156606158
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305890
1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
CID 86782489
(2S)-1-[(Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 7438700
[(2R)-1-(2,5-difluorobenzoyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 95173055
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-fluorophenyl)-2-methylprop-2-en-1-one
CID 91943349
[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60707747
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one (CID 71862195) is 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one is CC(=Cc1ccc(F)cc1)C(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is LYOJVAGPQSSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-14(13-15-4-6-16(20)7-5-15)18(23)22-8-2-3-17(22)19(24)21-9-11-25-12-10-21/h4-7,13,17H,2-3,8-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 346.40 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71862195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).