ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate

C13H15NO3 — CID 70608228

IUPACethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate
SMILESCCOC(=O)CC(=O)/C(C)=C\c1ccccn1
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)9-12(15)10(2)8-11-6-4-5-7-14-11/h4-8H,3,9H2,1-2H3/b10-8-
InChIKeyFUCVMZYUZMLCSK-NTMALXAHSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds5

About ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate

ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate (PubChem CID 70608228) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate
PubChem CID70608228
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate
SMILESCCOC(=O)CC(=O)/C(C)=C\c1ccccn1
InChIInChI=1S/C13H15NO3/c1-3-17-13(16)9-12(15)10(2)8-11-6-4-5-7-14-11/h4-8H,3,9H2,1-2H3/b10-8-
InChIKeyFUCVMZYUZMLCSK-NTMALXAHSA-N
XLogP2.01
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-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

Related Compounds

ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499
ethyl 4-acetyloxy-3-oxo-2-(pyridin-2-ylmethylidene)butanoate
CID 54266487
(E)-2,7,7-trimethyl-1-pyridin-2-yloct-1-ene-3,6-dione
CID 58441700
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
ethyl (Z)-2-cyano-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]prop-2-enoate
CID 177466132
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
CID 177496938
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate?
The IUPAC name of ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate (CID 70608228) is ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate.
What is the SMILES notation for ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate?
The canonical SMILES for ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate is CCOC(=O)CC(=O)/C(C)=C\c1ccccn1.
What is the InChIKey of ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate?
The InChIKey is FUCVMZYUZMLCSK-NTMALXAHSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-13(16)9-12(15)10(2)8-11-6-4-5-7-14-11/h4-8H,3,9H2,1-2H3/b10-8-.
What are the key properties of ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate?
ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate has a molecular weight of 233.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-methyl-3-oxo-5-pyridin-2-ylpent-4-enoate is sourced from PubChem (CID 70608228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).