(Z)-4-pyrrolidin-2-ylbut-2-enoic acid

C8H13NO2 — CID 117266194

IUPAC(Z)-4-pyrrolidin-2-ylbut-2-enoic acid
SMILESO=C(O)/C=C\CC1CCCN1
InChIInChI=1S/C8H13NO2/c10-8(11)5-1-3-7-4-2-6-9-7/h1,5,7,9H,2-4,6H2,(H,10,11)/b5-1-
InChIKeyWQVKZJVGGNLLTP-KTAJNNJTSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds3

About (Z)-4-pyrrolidin-2-ylbut-2-enoic acid

(Z)-4-pyrrolidin-2-ylbut-2-enoic acid (PubChem CID 117266194) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-4-pyrrolidin-2-ylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-pyrrolidin-2-ylbut-2-enoic acid
PubChem CID117266194
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(Z)-4-pyrrolidin-2-ylbut-2-enoic acid
SMILESO=C(O)/C=C\CC1CCCN1
InChIInChI=1S/C8H13NO2/c10-8(11)5-1-3-7-4-2-6-9-7/h1,5,7,9H,2-4,6H2,(H,10,11)/b5-1-
InChIKeyWQVKZJVGGNLLTP-KTAJNNJTSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
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

ethyl (E)-4-piperidin-2-ylbut-2-enoate
CID 12070400
4-(4-oxoazetidin-2-yl)but-2-enoic acid
CID 56616544
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
CID 70383224
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
2-prop-2-enyl(213C)azolidine
CID 173137372
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
2-[(E)-but-2-enyl]piperidine
CID 10261169
(2S)-2-[(E)-but-2-enyl]piperidine
CID 102286170
N,N,4-trimethyl-1-pyrrolidin-2-ylpentan-2-amine
CID 116906639
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617

Frequently Asked Questions

What is the IUPAC name of (Z)-4-pyrrolidin-2-ylbut-2-enoic acid?
The IUPAC name of (Z)-4-pyrrolidin-2-ylbut-2-enoic acid (CID 117266194) is (Z)-4-pyrrolidin-2-ylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-pyrrolidin-2-ylbut-2-enoic acid?
The canonical SMILES for (Z)-4-pyrrolidin-2-ylbut-2-enoic acid is O=C(O)/C=C\CC1CCCN1.
What is the InChIKey of (Z)-4-pyrrolidin-2-ylbut-2-enoic acid?
The InChIKey is WQVKZJVGGNLLTP-KTAJNNJTSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)5-1-3-7-4-2-6-9-7/h1,5,7,9H,2-4,6H2,(H,10,11)/b5-1-.
What are the key properties of (Z)-4-pyrrolidin-2-ylbut-2-enoic acid?
(Z)-4-pyrrolidin-2-ylbut-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-pyrrolidin-2-ylbut-2-enoic acid is sourced from PubChem (CID 117266194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).