tert-butyl 3-pyrazin-2-ylprop-2-enoate

C11H14N2O2 — CID 72519066

IUPACtert-butyl 3-pyrazin-2-ylprop-2-enoate
SMILESCC(C)(C)OC(=O)C=Cc1cnccn1
InChIInChI=1S/C11H14N2O2/c1-11(2,3)15-10(14)5-4-9-8-12-6-7-13-9/h4-8H,1-3H3
InChIKeyJSOKGUIRHAOXMU-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.83
Rot. Bonds2

About tert-butyl 3-pyrazin-2-ylprop-2-enoate

tert-butyl 3-pyrazin-2-ylprop-2-enoate (PubChem CID 72519066) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is tert-butyl 3-pyrazin-2-ylprop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-pyrazin-2-ylprop-2-enoate
PubChem CID72519066
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nametert-butyl 3-pyrazin-2-ylprop-2-enoate
SMILESCC(C)(C)OC(=O)C=Cc1cnccn1
InChIInChI=1S/C11H14N2O2/c1-11(2,3)15-10(14)5-4-9-8-12-6-7-13-9/h4-8H,1-3H3
InChIKeyJSOKGUIRHAOXMU-UHFFFAOYSA-N
XLogP1.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
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-pyrazin-2-ylprop-2-enoate
CID 123243841
1,5-di(pyrazin-2-yl)penta-1,4-dien-3-one
CID 123693209
tert-butyl 3-(5-formyl-2-pyridinyl)prop-2-enoate
CID 75077156
tert-butyl (E)-3-[5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051609
tert-butyl (E)-3-(2-tert-butyl-1H-imidazol-5-yl)prop-2-enoate
CID 67456203
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl 4-methyl-2-(pyrazin-2-ylmethylideneamino)pentanoate
CID 58755191
tert-butyl (E)-3-(2,3-dimethylimidazol-4-yl)prop-2-enoate
CID 167854136
tert-butyl 3-(5-bromo-3-pyridinyl)prop-2-enoate
CID 68608642
tert-butyl 3-(6-chloro-3-pyridinyl)prop-2-enoate
CID 91411013
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl 5-[(E)-3-pyridin-2-ylprop-2-enoyl]oxypentanoate
CID 163938579

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyrazin-2-ylprop-2-enoate?
The IUPAC name of tert-butyl 3-pyrazin-2-ylprop-2-enoate (CID 72519066) is tert-butyl 3-pyrazin-2-ylprop-2-enoate.
What is the SMILES notation for tert-butyl 3-pyrazin-2-ylprop-2-enoate?
The canonical SMILES for tert-butyl 3-pyrazin-2-ylprop-2-enoate is CC(C)(C)OC(=O)C=Cc1cnccn1.
What is the InChIKey of tert-butyl 3-pyrazin-2-ylprop-2-enoate?
The InChIKey is JSOKGUIRHAOXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2,3)15-10(14)5-4-9-8-12-6-7-13-9/h4-8H,1-3H3.
What are the key properties of tert-butyl 3-pyrazin-2-ylprop-2-enoate?
tert-butyl 3-pyrazin-2-ylprop-2-enoate has a molecular weight of 206.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyrazin-2-ylprop-2-enoate is sourced from PubChem (CID 72519066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).