(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid

C7H10FNO2 — CID 174209426

IUPAC(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(F)=C/C1CCCN1
InChIInChI=1S/C7H10FNO2/c8-6(7(10)11)4-5-2-1-3-9-5/h4-5,9H,1-3H2,(H,10,11)/b6-4-
InChIKeyYKPZJQVDRLLXQY-XQRVVYSFSA-N
MW159.16 g/mol
LogP0.68
Rot. Bonds2

About (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid

(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid (PubChem CID 174209426) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid
PubChem CID174209426
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(F)=C/C1CCCN1
InChIInChI=1S/C7H10FNO2/c8-6(7(10)11)4-5-2-1-3-9-5/h4-5,9H,1-3H2,(H,10,11)/b6-4-
InChIKeyYKPZJQVDRLLXQY-XQRVVYSFSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,2-dibromoethenyl)pyrrolidine
CID 14730329
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(E)-2-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide
CID 11638048
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid (CID 174209426) is (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid is O=C(O)/C(F)=C/C1CCCN1.
What is the InChIKey of (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid?
The InChIKey is YKPZJQVDRLLXQY-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10FNO2/c8-6(7(10)11)4-5-2-1-3-9-5/h4-5,9H,1-3H2,(H,10,11)/b6-4-.
What are the key properties of (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid?
(Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid has a molecular weight of 159.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-pyrrolidin-2-ylprop-2-enoic acid is sourced from PubChem (CID 174209426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).