methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate

C10H11NO3 — CID 170500382

IUPACmethyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1cc(=O)cc[nH]1
InChIInChI=1S/C10H11NO3/c1-14-10(13)4-2-3-8-7-9(12)5-6-11-8/h2-3,5-7H,4H2,1H3,(H,11,12)
InChIKeyGYLPDGZBEKOLTO-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.95
Rot. Bonds3

About methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate

methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate (PubChem CID 170500382) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate
PubChem CID170500382
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1cc(=O)cc[nH]1
InChIInChI=1S/C10H11NO3/c1-14-10(13)4-2-3-8-7-9(12)5-6-11-8/h2-3,5-7H,4H2,1H3,(H,11,12)
InChIKeyGYLPDGZBEKOLTO-UHFFFAOYSA-N
XLogP0.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-oxo-1H-pyridin-2-yl)but-3-enoic acid
CID 170483086
S-[3-(4-oxo-1H-pyridin-2-yl)prop-2-enyl] ethanethioate
CID 169456688
methyl 4-(4-oxo-1H-quinolin-7-yl)but-3-enoate
CID 170501649
methyl 4-(4-oxo-1H-quinolin-6-yl)but-3-enoate
CID 170501646
methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate
CID 170500633
methyl 3-oxo-3-(4-oxo-1H-pyridin-2-yl)propanoate
CID 82657167
methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate
CID 170500661
methyl 4-(4-amino-3-hydroxyphenyl)but-3-enoate
CID 170500638
methyl 4-(6-oxo-1H-pyridazin-3-yl)but-3-enoate
CID 170500339
methyl 4-(4-chloro-2-methoxyphenyl)but-3-enoate
CID 170500761
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate?
The IUPAC name of methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate (CID 170500382) is methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate.
What is the SMILES notation for methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate?
The canonical SMILES for methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate is COC(=O)CC=Cc1cc(=O)cc[nH]1.
What is the InChIKey of methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate?
The InChIKey is GYLPDGZBEKOLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)4-2-3-8-7-9(12)5-6-11-8/h2-3,5-7H,4H2,1H3,(H,11,12).
What are the key properties of methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate?
methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate has a molecular weight of 193.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-oxo-1H-pyridin-2-yl)but-3-enoate is sourced from PubChem (CID 170500382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).