1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine

C23H24FNO — CID 70002987

IUPAC1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
SMILESCC1CCCN1CCc1cc2cc(C=Cc3ccc(F)cc3)ccc2o1
InChIInChI=1S/C23H24FNO/c1-17-3-2-13-25(17)14-12-22-16-20-15-19(8-11-23(20)26-22)5-4-18-6-9-21(24)10-7-18/h4-11,15-17H,2-3,12-14H2,1H3
InChIKeyBWLHRHCJSILDQR-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.77
Rot. Bonds5

About 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine

1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine (PubChem CID 70002987) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
PubChem CID70002987
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
SMILESCC1CCCN1CCc1cc2cc(C=Cc3ccc(F)cc3)ccc2o1
InChIInChI=1S/C23H24FNO/c1-17-3-2-13-25(17)14-12-22-16-20-15-19(8-11-23(20)26-22)5-4-18-6-9-21(24)10-7-18/h4-11,15-17H,2-3,12-14H2,1H3
InChIKeyBWLHRHCJSILDQR-UHFFFAOYSA-N
XLogP5.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 70819125
CID 70819125
1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274458
5-[(4-fluorophenyl)methyl]-3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-1,2,4-oxadiazole
CID 10111916
1-[2-[5-(3,4-dichlorophenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274451
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
CID 22274484
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-2-one
CID 70002896
methyl 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzoate
CID 22274633
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
CID 67534035
[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-(4-nitrophenyl)methanone
CID 56963799
(2R,3R)-2,3-dihydroxybutanedioic acid;(2-fluorophenyl)-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methanone
CID 11341017
(E)-N-ethoxy-1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]ethanimine
CID 87435506

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
The IUPAC name of 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine (CID 70002987) is 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine.
What is the SMILES notation for 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
The canonical SMILES for 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine is CC1CCCN1CCc1cc2cc(C=Cc3ccc(F)cc3)ccc2o1.
What is the InChIKey of 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
The InChIKey is BWLHRHCJSILDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO/c1-17-3-2-13-25(17)14-12-22-16-20-15-19(8-11-23(20)26-22)5-4-18-6-9-21(24)10-7-18/h4-11,15-17H,2-3,12-14H2,1H3.
What are the key properties of 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine?
1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine has a molecular weight of 349.45 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[2-(4-fluorophenyl)ethenyl]-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine is sourced from PubChem (CID 70002987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).