ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate

C15H21NO3 — CID 10422867

IUPACethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate
SMILESCCOC(=O)/C=C/CCCCCn1ccccc1=O
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)11-6-4-3-5-8-12-16-13-9-7-10-14(16)17/h6-7,9-11,13H,2-5,8,12H2,1H3/b11-6+
InChIKeyZOLWQCVXNWYVBR-IZZDOVSWSA-N
MW263.34 g/mol
LogP2.53
Rot. Bonds8

About ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate

ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate (PubChem CID 10422867) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate.

Molecular Properties

Compound Nameethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate
PubChem CID10422867
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate
SMILESCCOC(=O)/C=C/CCCCCn1ccccc1=O
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)11-6-4-3-5-8-12-16-13-9-7-10-14(16)17/h6-7,9-11,13H,2-5,8,12H2,1H3/b11-6+
InChIKeyZOLWQCVXNWYVBR-IZZDOVSWSA-N
XLogP2.53
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.53
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate?
The IUPAC name of ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate (CID 10422867) is ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate.
What is the SMILES notation for ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate?
The canonical SMILES for ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate is CCOC(=O)/C=C/CCCCCn1ccccc1=O.
What is the InChIKey of ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate?
The InChIKey is ZOLWQCVXNWYVBR-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-15(18)11-6-4-3-5-8-12-16-13-9-7-10-14(16)17/h6-7,9-11,13H,2-5,8,12H2,1H3/b11-6+.
What are the key properties of ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate?
ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate has a molecular weight of 263.34 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-8-(2-oxo-1-pyridinyl)oct-2-enoate is sourced from PubChem (CID 10422867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).