1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine

C18H17FN2O3 — CID 54524825

IUPAC1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine
SMILESO=[N+]([O-])c1cc(Oc2ccc(F)cc2)ccc1C=CN1CCCC1
InChIInChI=1S/C18H17FN2O3/c19-15-4-7-16(8-5-15)24-17-6-3-14(18(13-17)21(22)23)9-12-20-10-1-2-11-20/h3-9,12-13H,1-2,10-11H2
InChIKeyYSKANRAXKXJHJG-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.59
Rot. Bonds5

About 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine

1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine (PubChem CID 54524825) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine
PubChem CID54524825
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine
SMILESO=[N+]([O-])c1cc(Oc2ccc(F)cc2)ccc1C=CN1CCCC1
InChIInChI=1S/C18H17FN2O3/c19-15-4-7-16(8-5-15)24-17-6-3-14(18(13-17)21(22)23)9-12-20-10-1-2-11-20/h3-9,12-13H,1-2,10-11H2
InChIKeyYSKANRAXKXJHJG-UHFFFAOYSA-N
XLogP4.59
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[(4-chlorophenyl)methoxy]-2-nitrophenyl]ethenyl]pyrrolidine
CID 175386456
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1-(2-nitro-4-phenoxyphenyl)pyrrolidine
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1-[(E)-2-(2,6-dinitrophenyl)ethenyl]pyrrolidine
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(E)-3-(4-fluoro-2-nitrophenyl)-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]prop-2-en-1-one
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2-nitro-1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)benzene
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2-nitro-4-phenoxyphenol
CID 10775849
3-(4-fluoro-2-nitrophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
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[4-(3-fluorophenoxy)-2-nitrophenyl]boronic acid
CID 67451844
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
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1-[(E)-2-(3-butoxy-2-nitrophenyl)ethenyl]pyrrolidine
CID 87170656
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine (CID 54524825) is 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine is O=[N+]([O-])c1cc(Oc2ccc(F)cc2)ccc1C=CN1CCCC1.
What is the InChIKey of 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine?
The InChIKey is YSKANRAXKXJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-15-4-7-16(8-5-15)24-17-6-3-14(18(13-17)21(22)23)9-12-20-10-1-2-11-20/h3-9,12-13H,1-2,10-11H2.
What are the key properties of 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine?
1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine has a molecular weight of 328.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenoxy)-2-nitrophenyl]ethenyl]pyrrolidine is sourced from PubChem (CID 54524825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).