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

C15H18FNO2 — CID 137491991

IUPAC3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
SMILESCC(C)CC1NC(=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)
InChIKeyQAYFIVGZBCREAP-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.77
Rot. Bonds5

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

3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one (PubChem CID 137491991) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
PubChem CID137491991
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
SMILESCC(C)CC1NC(=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)
InChIKeyQAYFIVGZBCREAP-UHFFFAOYSA-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

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Related Compounds

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CID 42227189
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N1-(2-(3-fluorophenyl)-2-methoxyethyl)-N2-isobutyloxalamide
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N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]ethoxyacetamide
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N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
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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
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one (CID 137491991) is 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one is CC(C)CC1NC(=O)C=C1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
The InChIKey is QAYFIVGZBCREAP-UHFFFAOYSA-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).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one?
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 3-[(4-fluorophenyl)methoxy]-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 137491991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).