dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate

C19H16N2O4S — CID 101187128

IUPACdimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate
SMILESCOC(=O)c1c(-c2cccs2)c(C(=O)OC)c2cc(C#N)c(C)n2c1C
InChIInChI=1S/C19H16N2O4S/c1-10-12(9-20)8-13-16(19(23)25-4)17(14-6-5-7-26-14)15(18(22)24-3)11(2)21(10)13/h5-8H,1-4H3
InChIKeyDXUSCXLVCIEVJT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.73
Rot. Bonds3

About dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate

dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate (PubChem CID 101187128) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate
PubChem CID101187128
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namedimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate
SMILESCOC(=O)c1c(-c2cccs2)c(C(=O)OC)c2cc(C#N)c(C)n2c1C
InChIInChI=1S/C19H16N2O4S/c1-10-12(9-20)8-13-16(19(23)25-4)17(14-6-5-7-26-14)15(18(22)24-3)11(2)21(10)13/h5-8H,1-4H3
InChIKeyDXUSCXLVCIEVJT-UHFFFAOYSA-N
XLogP3.73
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-cyano-6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carboxylate
CID 23911303
1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142766488
methyl 4-(3-cyano-4-thiophen-2-ylpyrrol-1-yl)benzoate
CID 58003650
1-O-ethyl 4-O-methyl 2,5-difluoro-3,6-dithiophen-2-ylbenzene-1,4-dicarboxylate
CID 146424255
methyl 4-cyano-5-methylsulfanyl-3-thiophen-2-ylthiophene-2-carboxylate
CID 2819151
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
CID 82028184
dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
3-butanoyl-1-hydroxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142770743
methyl 3-(2-chloroethyl)-4-ethyl-6-hydroxy-2-thiophen-2-ylbenzoate
CID 102392506

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate?
The IUPAC name of dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate (CID 101187128) is dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate?
The canonical SMILES for dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate is COC(=O)c1c(-c2cccs2)c(C(=O)OC)c2cc(C#N)c(C)n2c1C.
What is the InChIKey of dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate?
The InChIKey is DXUSCXLVCIEVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-10-12(9-20)8-13-16(19(23)25-4)17(14-6-5-7-26-14)15(18(22)24-3)11(2)21(10)13/h5-8H,1-4H3.
What are the key properties of dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate?
dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate has a molecular weight of 368.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyano-3,5-dimethyl-7-thiophen-2-ylindolizine-6,8-dicarboxylate is sourced from PubChem (CID 101187128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).