(2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one

C15H18FNO2 — CID 137491990

IUPAC(2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
SMILESCC(C)C[C@@H]1NC(=O)C=C1OCc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c1-10(2)7-13-14(8-15(18)17-13)19-9-11-3-5-12(16)6-4-11/h3-6,8,10,13H,7,9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyQAYFIVGZBCREAP-ZDUSSCGKSA-N
MW263.31 g/mol
LogP2.77
Rot. Bonds5

About (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one

(2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one (PubChem CID 137491990) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
PubChem CID137491990
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
SMILESCC(C)C[C@@H]1NC(=O)C=C1OCc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c1-10(2)7-13-14(8-15(18)17-13)19-9-11-3-5-12(16)6-4-11/h3-6,8,10,13H,7,9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyQAYFIVGZBCREAP-ZDUSSCGKSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyloxy-3-pyrrolin-2-one
CID 2724741
4-(4-Fluorobenzyloxy)-1h-pyridin-2-one
CID 22049900
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxy-6-oxopyran-2-yl)ethyl]acetamide
CID 156020524
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carboxamide
CID 42227189
2-ethoxy-N-(2-(3-fluorophenyl)-2-methoxyethyl)acetamide
CID 76149747
N1-(2-(3-fluorophenyl)-2-methoxyethyl)-N2-isobutyloxalamide
CID 76149753
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]ethoxyacetamide
CID 97428303
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]cyclopentanecarboxamide
CID 97553339
N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 10861242
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737560
2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737561
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1S)-1-phenylbut-3-enoxy]propan-2-yl]acetamide
CID 15737566

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one (CID 137491990) is (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one is CC(C)C[C@@H]1NC(=O)C=C1OCc1ccc(F)cc1.
What is the InChIKey of (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
The InChIKey is QAYFIVGZBCREAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10(2)7-13-14(8-15(18)17-13)19-9-11-3-5-12(16)6-4-11/h3-6,8,10,13H,7,9H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
(2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one has a molecular weight of 263.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 137491990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).