ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate

C10H11NO3 — CID 169480024

IUPACethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc[nH]c1=O
InChIInChI=1S/C10H11NO3/c1-2-14-9(12)6-5-8-4-3-7-11-10(8)13/h3-7H,2H2,1H3,(H,11,13)
InChIKeyKLWOLCFYDAUYSY-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.95
Rot. Bonds3

About ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate

ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate (PubChem CID 169480024) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
PubChem CID169480024
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc[nH]c1=O
InChIInChI=1S/C10H11NO3/c1-2-14-9(12)6-5-8-4-3-7-11-10(8)13/h3-7H,2H2,1H3,(H,11,13)
InChIKeyKLWOLCFYDAUYSY-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

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(4-oxo-1H-quinolin-8-yl)prop-2-enoate
CID 169480931
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169480007
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 54607042
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
3-(3-oxo-3-phenylprop-1-enyl)-1H-pyridin-2-one
CID 70475987
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate (CID 169480024) is ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc[nH]c1=O.
What is the InChIKey of ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate?
The InChIKey is KLWOLCFYDAUYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-9(12)6-5-8-4-3-7-11-10(8)13/h3-7H,2H2,1H3,(H,11,13).
What are the key properties of ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate?
ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-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 ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate is sourced from PubChem (CID 169480024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).