ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate

C14H19NO3 — CID 10243793

IUPACethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate
SMILESCCOC(=O)/C=C/CCCCn1ccccc1=O
InChIInChI=1S/C14H19NO3/c1-2-18-14(17)10-5-3-4-7-11-15-12-8-6-9-13(15)16/h5-6,8-10,12H,2-4,7,11H2,1H3/b10-5+
InChIKeyURSYTKLETIOXMB-BJMVGYQFSA-N
MW249.31 g/mol
LogP2.14
Rot. Bonds7

About ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate

ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate (PubChem CID 10243793) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate.

Molecular Properties

Compound Nameethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate
PubChem CID10243793
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate
SMILESCCOC(=O)/C=C/CCCCn1ccccc1=O
InChIInChI=1S/C14H19NO3/c1-2-18-14(17)10-5-3-4-7-11-15-12-8-6-9-13(15)16/h5-6,8-10,12H,2-4,7,11H2,1H3/b10-5+
InChIKeyURSYTKLETIOXMB-BJMVGYQFSA-N
XLogP2.14
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-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)-4-(1-methyl-2-oxo-3-pyridinyl)but-2-enoate
CID 146168898
ethyl (E)-5-(2-oxo-1-pyridinyl)pent-2-enoate
CID 10104916
ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate
CID 10422867
ethyl (E)-4-(2-oxo-1-pyridinyl)but-2-enoate
CID 11820337
ethyl (E)-3-(1-butyl-2-oxo-4-pyridinyl)prop-2-enoate
CID 20267141
ethyl 6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 23631467
Ethyl beta-(N-n-butyl-2-oxo-4-pyridyl)acrylate
CID 53712334
ethyl beta-(N-methyl-2-oxo-4-pyridyl)acrylate
CID 53764784
Ethyl 2-(1-butyl-2-oxo-4-pyridinyl)prop-2-enoate
CID 70353944
ethyl (E)-3-(1-methyl-2-oxo-4-pyridinyl)prop-2-enoate
CID 70354373
ethyl 6-(3-ethoxy-3-oxoprop-1-enyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 74073217
methyl (2E)-2-methyl-4-[methyl-[(4E)-4-methylhepta-4,6-dienyl]carbamoyl]penta-2,4-dienoate
CID 87688692

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate?
The IUPAC name of ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate (CID 10243793) is ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate.
What is the SMILES notation for ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate?
The canonical SMILES for ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate is CCOC(=O)/C=C/CCCCn1ccccc1=O.
What is the InChIKey of ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate?
The InChIKey is URSYTKLETIOXMB-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-18-14(17)10-5-3-4-7-11-15-12-8-6-9-13(15)16/h5-6,8-10,12H,2-4,7,11H2,1H3/b10-5+.
What are the key properties of ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate?
ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate has a molecular weight of 249.31 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-7-(2-oxo-1-pyridinyl)hept-2-enoate is sourced from PubChem (CID 10243793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).