7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one

C22H22FNO3 — CID 178137479

IUPAC7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one
SMILESO=C(CCN1CCC(c2ccc(F)cc2)C1)c1ccc2c(c1)OCCC2=O
InChIInChI=1S/C22H22FNO3/c23-18-4-1-15(2-5-18)17-7-10-24(14-17)11-8-20(25)16-3-6-19-21(26)9-12-27-22(19)13-16/h1-6,13,17H,7-12,14H2
InChIKeyQUTRHBXLXSQUQC-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.85
Rot. Bonds5

About 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one

7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one (PubChem CID 178137479) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one
PubChem CID178137479
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one
SMILESO=C(CCN1CCC(c2ccc(F)cc2)C1)c1ccc2c(c1)OCCC2=O
InChIInChI=1S/C22H22FNO3/c23-18-4-1-15(2-5-18)17-7-10-24(14-17)11-8-20(25)16-3-6-19-21(26)9-12-27-22(19)13-16/h1-6,13,17H,7-12,14H2
InChIKeyQUTRHBXLXSQUQC-UHFFFAOYSA-N
XLogP3.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 667446
6-chloro-7-[3-(3-phenylpyrrolidin-1-yl)propanoyl]-2,3-dihydrochromen-4-one
CID 178137220
3-[3-(4-chlorophenyl)pyrrolidin-1-yl]-1-(2,3-dihydrobenzo[g][1,4]benzodioxin-7-yl)propan-1-one
CID 178137482
1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 178137267
1-(2,3-dihydro-1,4-benzoxathiin-7-yl)-3-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]propan-1-one
CID 178137053
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylpyrrolidin-1-yl)propan-1-one
CID 178137392
7-[3-(3-ethynylpyrrolidin-1-yl)propanoyl]-2,3-dihydrobenzo[g]chromen-4-one
CID 178137503
1-(5-fluoro-2,3-dihydro-1,4-benzoxathiin-7-yl)-3-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 178137195
1-(2,3-dihydrobenzo[g][1,4]benzoxathiin-8-yl)-3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 178137534
1-(2,3-dihydrobenzo[g][1,4]benzodioxin-7-yl)-3-[3-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 178137455
1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743
7-[3-(3-methyl-4-phenylpyrrolidin-1-yl)propanoyl]-2,3-dihydrobenzo[g]chromen-4-one
CID 178137048

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one (CID 178137479) is 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one is O=C(CCN1CCC(c2ccc(F)cc2)C1)c1ccc2c(c1)OCCC2=O.
What is the InChIKey of 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one?
The InChIKey is QUTRHBXLXSQUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-18-4-1-15(2-5-18)17-7-10-24(14-17)11-8-20(25)16-3-6-19-21(26)9-12-27-22(19)13-16/h1-6,13,17H,7-12,14H2.
What are the key properties of 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one?
7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one has a molecular weight of 367.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(4-fluorophenyl)pyrrolidin-1-yl]propanoyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 178137479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).