1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid

C14H16FNO2 — CID 122036670

IUPAC1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c15-12-7-5-11(6-8-12)3-1-9-16-10-2-4-13(16)14(17)18/h1,3,5-8,13H,2,4,9-10H2,(H,17,18)/b3-1+
InChIKeyLZQVKQKEZVNSSM-HNQUOIGGSA-N
MW249.29 g/mol
LogP2.39
Rot. Bonds4

About 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid

1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid (PubChem CID 122036670) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
PubChem CID122036670
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c15-12-7-5-11(6-8-12)3-1-9-16-10-2-4-13(16)14(17)18/h1,3,5-8,13H,2,4,9-10H2,(H,17,18)/b3-1+
InChIKeyLZQVKQKEZVNSSM-HNQUOIGGSA-N
XLogP2.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
(2R)-1-[(E)-3-(3,4-difluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 122038301
(2S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid
CID 140581488
methyl (2S,3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-hydroxypiperidine-2-carboxylate
CID 129399684
1-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-2-yl]ethanol
CID 91941500
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
(3S)-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]piperidine-3-carboxylic acid
CID 119173682
(2S)-1-(4-amino-4-oxobut-2-enyl)pyrrolidine-2-carboxylic acid
CID 69407633
(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidine-2-carboxylic acid
CID 155262305
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
(2R)-1-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124689630

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid (CID 122036670) is 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C/C=C/c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LZQVKQKEZVNSSM-HNQUOIGGSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-7-5-11(6-8-12)3-1-9-16-10-2-4-13(16)14(17)18/h1,3,5-8,13H,2,4,9-10H2,(H,17,18)/b3-1+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid?
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122036670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).