ethyl 3-cyano-2-ethylindolizine-1-carboxylate

C14H14N2O2 — CID 86231080

IUPACethyl 3-cyano-2-ethylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C#N)n2ccccc12
InChIInChI=1S/C14H14N2O2/c1-3-10-12(9-15)16-8-6-5-7-11(16)13(10)14(17)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyMTAURFKZUVCHOU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.55
Rot. Bonds3

About ethyl 3-cyano-2-ethylindolizine-1-carboxylate

ethyl 3-cyano-2-ethylindolizine-1-carboxylate (PubChem CID 86231080) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl 3-cyano-2-ethylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-ethylindolizine-1-carboxylate
PubChem CID86231080
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl 3-cyano-2-ethylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C#N)n2ccccc12
InChIInChI=1S/C14H14N2O2/c1-3-10-12(9-15)16-8-6-5-7-11(16)13(10)14(17)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyMTAURFKZUVCHOU-UHFFFAOYSA-N
XLogP2.55
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate
CID 86231081
ethyl 2-(3-chlorophenyl)-3-cyanoindolizine-1-carboxylate
CID 72701127
dimethyl 3-cyano-7-[3-cyano-1,2-bis(ethoxycarbonyl)indolizin-7-yl]indolizine-1,2-dicarboxylate
CID 102391608
ethyl 3-cyano-2-(2-methylprop-2-enylsulfanyl)-4-oxoquinolizine-1-carboxylate
CID 19843302
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
ethyl 3-cyano-2-[(1,2-diethylpyrazolidin-4-yl)amino]-4-oxoquinolizine-1-carboxylate
CID 14551503
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate
CID 102234862
ethyl 3-cyano-4-oxo-2-(pyridin-2-ylmethylamino)quinolizine-1-carboxylate
CID 14852386
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
ethyl 3-cyano-4-oxo-2-(1-thiophen-2-ylethylamino)quinolizine-1-carboxylate
CID 23046122

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-ethylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-2-ethylindolizine-1-carboxylate (CID 86231080) is ethyl 3-cyano-2-ethylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-ethylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-ethylindolizine-1-carboxylate is CCOC(=O)c1c(CC)c(C#N)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-2-ethylindolizine-1-carboxylate?
The InChIKey is MTAURFKZUVCHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-10-12(9-15)16-8-6-5-7-11(16)13(10)14(17)18-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 3-cyano-2-ethylindolizine-1-carboxylate?
ethyl 3-cyano-2-ethylindolizine-1-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-ethylindolizine-1-carboxylate is sourced from PubChem (CID 86231080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).