pyridin-2-yl 2-methylidenepent-4-enoate

C11H11NO2 — CID 144839722

IUPACpyridin-2-yl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)Oc1ccccn1
InChIInChI=1S/C11H11NO2/c1-3-6-9(2)11(13)14-10-7-4-5-8-12-10/h3-5,7-8H,1-2,6H2
InChIKeySRUPMXWGALFQCO-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.12
Rot. Bonds4

About pyridin-2-yl 2-methylidenepent-4-enoate

pyridin-2-yl 2-methylidenepent-4-enoate (PubChem CID 144839722) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is pyridin-2-yl 2-methylidenepent-4-enoate.

Molecular Properties

Compound Namepyridin-2-yl 2-methylidenepent-4-enoate
PubChem CID144839722
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namepyridin-2-yl 2-methylidenepent-4-enoate
SMILESC=CCC(=C)C(=O)Oc1ccccn1
InChIInChI=1S/C11H11NO2/c1-3-6-9(2)11(13)14-10-7-4-5-8-12-10/h3-5,7-8H,1-2,6H2
InChIKeySRUPMXWGALFQCO-UHFFFAOYSA-N
XLogP2.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze pyridin-2-yl 2-methylidenepent-4-enoate 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 pyridin-2-yl 2-methylidenepent-4-enoate?
The IUPAC name of pyridin-2-yl 2-methylidenepent-4-enoate (CID 144839722) is pyridin-2-yl 2-methylidenepent-4-enoate.
What is the SMILES notation for pyridin-2-yl 2-methylidenepent-4-enoate?
The canonical SMILES for pyridin-2-yl 2-methylidenepent-4-enoate is C=CCC(=C)C(=O)Oc1ccccn1.
What is the InChIKey of pyridin-2-yl 2-methylidenepent-4-enoate?
The InChIKey is SRUPMXWGALFQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-6-9(2)11(13)14-10-7-4-5-8-12-10/h3-5,7-8H,1-2,6H2.
What are the key properties of pyridin-2-yl 2-methylidenepent-4-enoate?
pyridin-2-yl 2-methylidenepent-4-enoate has a molecular weight of 189.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 2-methylidenepent-4-enoate is sourced from PubChem (CID 144839722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).