methyl 4-(5-methyl-2-pyridinyl)but-3-enoate

C11H13NO2 — CID 170500370

IUPACmethyl 4-(5-methyl-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1ccc(C)cn1
InChIInChI=1S/C11H13NO2/c1-9-6-7-10(12-8-9)4-3-5-11(13)14-2/h3-4,6-8H,5H2,1-2H3
InChIKeyJLMLMVOWVZTZOT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.97
Rot. Bonds3

About methyl 4-(5-methyl-2-pyridinyl)but-3-enoate

methyl 4-(5-methyl-2-pyridinyl)but-3-enoate (PubChem CID 170500370) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 4-(5-methyl-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(5-methyl-2-pyridinyl)but-3-enoate
PubChem CID170500370
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 4-(5-methyl-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1ccc(C)cn1
InChIInChI=1S/C11H13NO2/c1-9-6-7-10(12-8-9)4-3-5-11(13)14-2/h3-4,6-8H,5H2,1-2H3
InChIKeyJLMLMVOWVZTZOT-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
CID 170500325
methyl 4-(5-methyl-1,3-thiazol-2-yl)but-3-enoate
CID 170500293
methyl 4-(6-oxo-1H-pyridazin-3-yl)but-3-enoate
CID 170500339
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
6-(4-ethoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170796204
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531
methyl 4-(4-cyano-2-pyridinyl)but-3-enoate
CID 170500535
methyl (E)-5-(5-bromo-2-pyridinyl)pent-4-enoate
CID 142133740
methyl 4-(1H-pyrazol-4-yl)but-3-enoate
CID 170500267
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-2-pyridinyl)but-3-enoate?
The IUPAC name of methyl 4-(5-methyl-2-pyridinyl)but-3-enoate (CID 170500370) is methyl 4-(5-methyl-2-pyridinyl)but-3-enoate.
What is the SMILES notation for methyl 4-(5-methyl-2-pyridinyl)but-3-enoate?
The canonical SMILES for methyl 4-(5-methyl-2-pyridinyl)but-3-enoate is COC(=O)CC=Cc1ccc(C)cn1.
What is the InChIKey of methyl 4-(5-methyl-2-pyridinyl)but-3-enoate?
The InChIKey is JLMLMVOWVZTZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9-6-7-10(12-8-9)4-3-5-11(13)14-2/h3-4,6-8H,5H2,1-2H3.
What are the key properties of methyl 4-(5-methyl-2-pyridinyl)but-3-enoate?
methyl 4-(5-methyl-2-pyridinyl)but-3-enoate has a molecular weight of 191.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methyl-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170500370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).