(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid

C8H12FNO2 — CID 170967279

IUPAC(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
SMILESCN1CCCC1/C=C(\F)C(=O)O
InChIInChI=1S/C8H12FNO2/c1-10-4-2-3-6(10)5-7(9)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)/b7-5-
InChIKeyPLIMURDNVQTYCJ-ALCCZGGFSA-N
MW173.19 g/mol
LogP1.02
Rot. Bonds2

About (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid

(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid (PubChem CID 170967279) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
PubChem CID170967279
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
SMILESCN1CCCC1/C=C(\F)C(=O)O
InChIInChI=1S/C8H12FNO2/c1-10-4-2-3-6(10)5-7(9)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)/b7-5-
InChIKeyPLIMURDNVQTYCJ-ALCCZGGFSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(1-methylpyrrolidin-2-yl)but-3-enoic acid
CID 117267590
(NZ)-N-[(1-methylpyrrolidin-2-yl)methylidene]hydroxylamine
CID 91392408
2-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 174227082
(Z)-4-(1-methylpiperidin-2-yl)but-3-enoic acid
CID 117267642
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2S)-1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 155396519
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(E)-4-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]hex-1-en-3-one
CID 137471242
(E)-2-[(2R)-1-methylpiperidin-2-yl]ethenol
CID 163529259
(2S)-2-ethenyl-1-methylpyrrolidine;propane
CID 172577719
sodium;ethyl (E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enoate;(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enoic acid;hydroxide
CID 158394388
(2R)-2-[(E)-2-methoxyethenyl]-1-methylpyrrolidine
CID 126669652

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid (CID 170967279) is (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid is CN1CCCC1/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
The InChIKey is PLIMURDNVQTYCJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-10-4-2-3-6(10)5-7(9)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)/b7-5-.
What are the key properties of (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
(Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid has a molecular weight of 173.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 170967279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).