2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine

C13H16FNO — CID 104703736

IUPAC2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine
SMILESCOc1ccc(/C=C/C2CCCN2)cc1F
InChIInChI=1S/C13H16FNO/c1-16-13-7-5-10(9-12(13)14)4-6-11-3-2-8-15-11/h4-7,9,11,15H,2-3,8H2,1H3/b6-4+
InChIKeyULIJEOLFNOYKCZ-GQCTYLIASA-N
MW221.28 g/mol
LogP2.60
Rot. Bonds3

About 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine

2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine (PubChem CID 104703736) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine
PubChem CID104703736
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine
SMILESCOc1ccc(/C=C/C2CCCN2)cc1F
InChIInChI=1S/C13H16FNO/c1-16-13-7-5-10(9-12(13)14)4-6-11-3-2-8-15-11/h4-7,9,11,15H,2-3,8H2,1H3/b6-4+
InChIKeyULIJEOLFNOYKCZ-GQCTYLIASA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
CID 126844673
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
2-fluoro-1-methoxy-4-[(Z)-prop-1-enyl]benzene
CID 89214700
2-(2-phenylethenyl)pyrrolidine
CID 3705120
1-(1,4-diazepan-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 126781131
1-(1,4-diazepan-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one;hydrochloride
CID 126781130
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 78911756
(E)-1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one;hydrochloride
CID 122148051
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine?
The IUPAC name of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine (CID 104703736) is 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine?
The canonical SMILES for 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine is COc1ccc(/C=C/C2CCCN2)cc1F.
What is the InChIKey of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine?
The InChIKey is ULIJEOLFNOYKCZ-GQCTYLIASA-N. The full InChI is InChI=1S/C13H16FNO/c1-16-13-7-5-10(9-12(13)14)4-6-11-3-2-8-15-11/h4-7,9,11,15H,2-3,8H2,1H3/b6-4+.
What are the key properties of 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine?
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine has a molecular weight of 221.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 104703736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).