ethyl (Z)-3-pyridin-4-ylbut-2-enoate

C11H13NO2 — CID 69315754

IUPACethyl (Z)-3-pyridin-4-ylbut-2-enoate
SMILESCCOC(=O)/C=C(/C)c1ccncc1
InChIInChI=1S/C11H13NO2/c1-3-14-11(13)8-9(2)10-4-6-12-7-5-10/h4-8H,3H2,1-2H3/b9-8-
InChIKeyNACCQTPGSYDGEZ-HJWRWDBZSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds3

About ethyl (Z)-3-pyridin-4-ylbut-2-enoate

ethyl (Z)-3-pyridin-4-ylbut-2-enoate (PubChem CID 69315754) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl (Z)-3-pyridin-4-ylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-pyridin-4-ylbut-2-enoate
PubChem CID69315754
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl (Z)-3-pyridin-4-ylbut-2-enoate
SMILESCCOC(=O)/C=C(/C)c1ccncc1
InChIInChI=1S/C11H13NO2/c1-3-14-11(13)8-9(2)10-4-6-12-7-5-10/h4-8H,3H2,1-2H3/b9-8-
InChIKeyNACCQTPGSYDGEZ-HJWRWDBZSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
CID 54710377
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
ethyl (E)-3-[4-[4-[4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenoxy]phenoxy]phenyl]but-2-enoate
CID 25156960
ethyl (E)-3-[4-[4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenoxy]phenyl]but-2-enoate
CID 25156959
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (E)-3-[4-(4-fluorophenyl)phenyl]but-2-enoate
CID 22557664
ethyl 3-[4-[chloro(pyridin-3-yl)methyl]phenyl]but-2-enoate
CID 70494712
ethyl (Z)-3-(pyridin-4-ylmethylamino)but-2-enoate
CID 70578959
ethyl 3-[4-[chloro(pyridin-3-yl)methyl]phenyl]but-2-enoate;hydrochloride
CID 70494711
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
ethyl (Z)-3-isoquinolin-8-ylbut-2-enoate
CID 69141603

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-pyridin-4-ylbut-2-enoate?
The IUPAC name of ethyl (Z)-3-pyridin-4-ylbut-2-enoate (CID 69315754) is ethyl (Z)-3-pyridin-4-ylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-pyridin-4-ylbut-2-enoate?
The canonical SMILES for ethyl (Z)-3-pyridin-4-ylbut-2-enoate is CCOC(=O)/C=C(/C)c1ccncc1.
What is the InChIKey of ethyl (Z)-3-pyridin-4-ylbut-2-enoate?
The InChIKey is NACCQTPGSYDGEZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-14-11(13)8-9(2)10-4-6-12-7-5-10/h4-8H,3H2,1-2H3/b9-8-.
What are the key properties of ethyl (Z)-3-pyridin-4-ylbut-2-enoate?
ethyl (Z)-3-pyridin-4-ylbut-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-pyridin-4-ylbut-2-enoate is sourced from PubChem (CID 69315754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).