ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate

C15H20N2O2 — CID 91168931

IUPACethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
SMILESCC.CCOC(=O)/C=C/c1c(C)nc2ccccn12
InChIInChI=1S/C13H14N2O2.C2H6/c1-3-17-13(16)8-7-11-10(2)14-12-6-4-5-9-15(11)12;1-2/h4-9H,3H2,1-2H3;1-2H3/b8-7+;
InChIKeyNYIFIZDWURZICQ-USRGLUTNSA-N
MW260.34 g/mol
LogP3.25
Rot. Bonds3

About ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate

ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate (PubChem CID 91168931) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
PubChem CID91168931
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
SMILESCC.CCOC(=O)/C=C/c1c(C)nc2ccccn12
InChIInChI=1S/C13H14N2O2.C2H6/c1-3-17-13(16)8-7-11-10(2)14-12-6-4-5-9-15(11)12;1-2/h4-9H,3H2,1-2H3;1-2H3/b8-7+;
InChIKeyNYIFIZDWURZICQ-USRGLUTNSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.25
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 (Z)-3-(2-methoxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
CID 54600285
[2-(ethoxycarbonylamino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734837
(2-ethoxyphenyl)methyl (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735447
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
[2-oxo-2-(propylamino)ethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734768
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734796
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734725
(2-chloroquinolin-3-yl)methyl (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 9456507
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 9456514
[2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734671
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate?
The IUPAC name of ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate (CID 91168931) is ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate.
What is the SMILES notation for ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate?
The canonical SMILES for ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate is CC.CCOC(=O)/C=C/c1c(C)nc2ccccn12.
What is the InChIKey of ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate?
The InChIKey is NYIFIZDWURZICQ-USRGLUTNSA-N. The full InChI is InChI=1S/C13H14N2O2.C2H6/c1-3-17-13(16)8-7-11-10(2)14-12-6-4-5-9-15(11)12;1-2/h4-9H,3H2,1-2H3;1-2H3/b8-7+;.
What are the key properties of ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate?
ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate has a molecular weight of 260.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate is sourced from PubChem (CID 91168931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).