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

C8H13NO2 — CID 117266106

IUPAC(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
SMILESCN1CCC(/C=C\C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-9-5-4-7(6-9)2-3-8(10)11/h2-3,7H,4-6H2,1H3,(H,10,11)/b3-2-
InChIKeyFWCTXGZUJOKXKG-IHWYPQMZSA-N
MW155.20 g/mol
LogP0.58
Rot. Bonds2

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

(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid (PubChem CID 117266106) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
PubChem CID117266106
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
SMILESCN1CCC(/C=C\C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-9-5-4-7(6-9)2-3-8(10)11/h2-3,7H,4-6H2,1H3,(H,10,11)/b3-2-
InChIKeyFWCTXGZUJOKXKG-IHWYPQMZSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid (CID 117266106) is (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid is CN1CCC(/C=C\C(=O)O)C1.
What is the InChIKey of (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid?
The InChIKey is FWCTXGZUJOKXKG-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-5-4-7(6-9)2-3-8(10)11/h2-3,7H,4-6H2,1H3,(H,10,11)/b3-2-.
What are the key properties of (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid?
(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 117266106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).