(E)-3-pyridin-2-ylprop-2-enoic acid

C8H7NO2 — CID 5356626

IUPAC(E)-3-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccn1
InChIInChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+
InChIKeyLKDFTXDJKHGCAC-SNAWJCMRSA-N
MW149.15 g/mol
LogP1.18
Rot. Bonds2

About (E)-3-pyridin-2-ylprop-2-enoic acid

(E)-3-pyridin-2-ylprop-2-enoic acid (PubChem CID 5356626) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is (E)-3-pyridin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-pyridin-2-ylprop-2-enoic acid
PubChem CID5356626
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name(E)-3-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccn1
InChIInChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+
InChIKeyLKDFTXDJKHGCAC-SNAWJCMRSA-N
XLogP1.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-pyridin-2-ylprop-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 (E)-3-pyridin-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-pyridin-2-ylprop-2-enoic acid (CID 5356626) is (E)-3-pyridin-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-pyridin-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-pyridin-2-ylprop-2-enoic acid is O=C(O)/C=C/c1ccccn1.
What is the InChIKey of (E)-3-pyridin-2-ylprop-2-enoic acid?
The InChIKey is LKDFTXDJKHGCAC-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-6H,(H,10,11)/b5-4+.
What are the key properties of (E)-3-pyridin-2-ylprop-2-enoic acid?
(E)-3-pyridin-2-ylprop-2-enoic acid has a molecular weight of 149.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-2-ylprop-2-enoic acid is sourced from PubChem (CID 5356626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).