ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate

C10H12N2O3 — CID 169480123

IUPACethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c[nH]c(=O)c(N)c1
InChIInChI=1S/C10H12N2O3/c1-2-15-9(13)4-3-7-5-8(11)10(14)12-6-7/h3-6H,2,11H2,1H3,(H,12,14)
InChIKeyQMBMFNQLUAHEIW-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds3

About ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate

ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate (PubChem CID 169480123) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate
PubChem CID169480123
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1c[nH]c(=O)c(N)c1
InChIInChI=1S/C10H12N2O3/c1-2-15-9(13)4-3-7-5-8(11)10(14)12-6-7/h3-6H,2,11H2,1H3,(H,12,14)
InChIKeyQMBMFNQLUAHEIW-UHFFFAOYSA-N
XLogP0.53
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]prop-2-enoate
CID 169480857
4-(3-ethoxy-3-oxoprop-1-enyl)-1H-pyrrole-2-carboxylic acid
CID 169480175
ethyl 4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1H-pyrrole-2-carboxylate
CID 5383640
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493
ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 54607042
ethyl (E)-3-(4-bromo-1H-pyrrol-2-yl)prop-2-enoate
CID 131735828
ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
CID 22897227
ethyl (E)-3-(4-amino-3-propylphenyl)prop-2-enoate
CID 70185361
ethyl 3-(1,3-dioxoisoindol-5-yl)prop-2-enoate
CID 169480926

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate (CID 169480123) is ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate is CCOC(=O)C=Cc1c[nH]c(=O)c(N)c1.
What is the InChIKey of ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate?
The InChIKey is QMBMFNQLUAHEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-9(13)4-3-7-5-8(11)10(14)12-6-7/h3-6H,2,11H2,1H3,(H,12,14).
What are the key properties of ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate?
ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate has a molecular weight of 208.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate is sourced from PubChem (CID 169480123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).