methyl (E)-4-pyridin-3-ylbut-3-enoate

C10H11NO2 — CID 11513847

IUPACmethyl (E)-4-pyridin-3-ylbut-3-enoate
SMILESCOC(=O)C/C=C/c1cccnc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)6-2-4-9-5-3-7-11-8-9/h2-5,7-8H,6H2,1H3/b4-2+
InChIKeyGDEIIGYPDBKVRG-DUXPYHPUSA-N
MW177.20 g/mol
LogP1.66
Rot. Bonds3

About methyl (E)-4-pyridin-3-ylbut-3-enoate

methyl (E)-4-pyridin-3-ylbut-3-enoate (PubChem CID 11513847) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl (E)-4-pyridin-3-ylbut-3-enoate.

Molecular Properties

Compound Namemethyl (E)-4-pyridin-3-ylbut-3-enoate
PubChem CID11513847
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl (E)-4-pyridin-3-ylbut-3-enoate
SMILESCOC(=O)C/C=C/c1cccnc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)6-2-4-9-5-3-7-11-8-9/h2-5,7-8H,6H2,1H3/b4-2+
InChIKeyGDEIIGYPDBKVRG-DUXPYHPUSA-N
XLogP1.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-3-ylbut-3-enoic acid
CID 439
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
CID 170500325
methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate
CID 22096594
methyl 4-isoquinolin-5-ylbut-3-enoate
CID 170501081
methyl 4-(1H-pyrazol-4-yl)but-3-enoate
CID 170500267
methyl 4-(3-sulfanylphenyl)but-3-enoate
CID 170500301
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenoxy]acetate
CID 51097580
methyl 4-(3-amino-2-pyridinyl)but-3-enoate
CID 170500334

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-pyridin-3-ylbut-3-enoate?
The IUPAC name of methyl (E)-4-pyridin-3-ylbut-3-enoate (CID 11513847) is methyl (E)-4-pyridin-3-ylbut-3-enoate.
What is the SMILES notation for methyl (E)-4-pyridin-3-ylbut-3-enoate?
The canonical SMILES for methyl (E)-4-pyridin-3-ylbut-3-enoate is COC(=O)C/C=C/c1cccnc1.
What is the InChIKey of methyl (E)-4-pyridin-3-ylbut-3-enoate?
The InChIKey is GDEIIGYPDBKVRG-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)6-2-4-9-5-3-7-11-8-9/h2-5,7-8H,6H2,1H3/b4-2+.
What are the key properties of methyl (E)-4-pyridin-3-ylbut-3-enoate?
methyl (E)-4-pyridin-3-ylbut-3-enoate has a molecular weight of 177.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-pyridin-3-ylbut-3-enoate is sourced from PubChem (CID 11513847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).