ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate

C10H9N3O2 — CID 169480203

IUPACethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc(C#N)nc1
InChIInChI=1S/C10H9N3O2/c1-2-15-10(14)4-3-8-6-12-9(5-11)13-7-8/h3-4,6-7H,2H2,1H3
InChIKeyWPNFVFFHJXLJJR-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.92
Rot. Bonds3

About ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate

ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate (PubChem CID 169480203) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
PubChem CID169480203
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Nameethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc(C#N)nc1
InChIInChI=1S/C10H9N3O2/c1-2-15-10(14)4-3-8-6-12-9(5-11)13-7-8/h3-4,6-7H,2H2,1H3
InChIKeyWPNFVFFHJXLJJR-UHFFFAOYSA-N
XLogP0.92
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
CID 169480084
ethyl 3-(5-cyanothiophen-3-yl)prop-2-enoate
CID 169480013
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493
ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
CID 169480130
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl 3-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]prop-2-enoate
CID 169481120
ethyl 3-(5-hydroxypyrimidin-2-yl)prop-2-enoate
CID 169480006
methyl 5-(3-ethoxy-3-oxoprop-1-enyl)pyridine-2-carboxylate
CID 169480662
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (E)-3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate
CID 86611807
ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate
CID 169480456
ethyl (E)-3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 134511046

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate (CID 169480203) is ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate is CCOC(=O)C=Cc1cnc(C#N)nc1.
What is the InChIKey of ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate?
The InChIKey is WPNFVFFHJXLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-2-15-10(14)4-3-8-6-12-9(5-11)13-7-8/h3-4,6-7H,2H2,1H3.
What are the key properties of ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate?
ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate has a molecular weight of 203.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate is sourced from PubChem (CID 169480203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).