ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate

C15H16N2O2 — CID 86231081

IUPACethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C#N)n2ccc(C)cc12
InChIInChI=1S/C15H16N2O2/c1-4-11-13(9-16)17-7-6-10(3)8-12(17)14(11)15(18)19-5-2/h6-8H,4-5H2,1-3H3
InChIKeyQLUBLJGCAXUXQU-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.86
Rot. Bonds3

About ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate

ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate (PubChem CID 86231081) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate
PubChem CID86231081
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Nameethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C#N)n2ccc(C)cc12
InChIInChI=1S/C15H16N2O2/c1-4-11-13(9-16)17-7-6-10(3)8-12(17)14(11)15(18)19-5-2/h6-8H,4-5H2,1-3H3
InChIKeyQLUBLJGCAXUXQU-UHFFFAOYSA-N
XLogP2.86
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080
dimethyl 3-cyano-7-[3-cyano-1,2-bis(ethoxycarbonyl)indolizin-7-yl]indolizine-1,2-dicarboxylate
CID 102391608
diethyl 2-[2-[1,3-bis(ethoxycarbonyl)-7-methylindolizin-2-yl]sulfanylethylsulfanyl]-7-methylindolizine-1,3-dicarboxylate
CID 11006762
diethyl 2-[3-[1,3-bis(ethoxycarbonyl)-7-methylindolizin-2-yl]sulfanylpropylsulfanyl]-7-methylindolizine-1,3-dicarboxylate
CID 11082848
diethyl 2-[[4-[[1,3-bis(ethoxycarbonyl)-7-methylindolizin-2-yl]sulfanylmethyl]phenyl]methylsulfanyl]-7-methylindolizine-1,3-dicarboxylate
CID 11083100
diethyl 7-methyl-2-phenacylsulfanylindolizine-1,3-dicarboxylate
CID 14708955
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 2-(3-chlorophenyl)-3-cyanoindolizine-1-carboxylate
CID 72701127
ethyl 4-cyano-2,6-diethylbenzoate
CID 134614516
ethyl 6-bromo-3-cyano-2-ethylbenzoate
CID 134650290
ethyl 4-cyano-2,6-dimethylbenzoate
CID 134614514
ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate
CID 14709016

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate (CID 86231081) is ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate is CCOC(=O)c1c(CC)c(C#N)n2ccc(C)cc12.
What is the InChIKey of ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate?
The InChIKey is QLUBLJGCAXUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-11-13(9-16)17-7-6-10(3)8-12(17)14(11)15(18)19-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate?
ethyl 3-cyano-2-ethyl-7-methylindolizine-1-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 2.86, 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-ethyl-7-methylindolizine-1-carboxylate is sourced from PubChem (CID 86231081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).