ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate

C17H17NO4 — CID 15213116

IUPACethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate
SMILESCCOC(=O)c1cc2c(oc1=O)c(CC)n1cc(C)ccc21
InChIInChI=1S/C17H17NO4/c1-4-13-15-11(14-7-6-10(3)9-18(13)14)8-12(17(20)22-15)16(19)21-5-2/h6-9H,4-5H2,1-3H3
InChIKeyXKSAOGRVMRHJEV-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.09
Rot. Bonds3

About ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate

ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate (PubChem CID 15213116) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate
PubChem CID15213116
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate
SMILESCCOC(=O)c1cc2c(oc1=O)c(CC)n1cc(C)ccc21
InChIInChI=1S/C17H17NO4/c1-4-13-15-11(14-7-6-10(3)9-18(13)14)8-12(17(20)22-15)16(19)21-5-2/h6-9H,4-5H2,1-3H3
InChIKeyXKSAOGRVMRHJEV-UHFFFAOYSA-N
XLogP3.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-acetyl-7-ethyl-10-methylpyrano[3,2-a]indolizin-2-one
CID 15213121
diethyl 8,9-dimethyl-2-oxopyrano[2,3-e]isoindole-3,7-dicarboxylate
CID 44582525
ethyl 7-(4-methylphenyl)-2-oxochromene-3-carboxylate
CID 50994673
ethyl 8-bromo-2-oxochromene-3-carboxylate
CID 118281896
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl 7-hydroxy-5-methyl-2-oxochromene-3-carboxylate
CID 23085530
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
ethyl 6-formyl-2-oxobenzo[h]chromene-3-carboxylate
CID 44604326
ethyl 7-methyltetrazolo[1,5-a]quinoline-5-carboxylate
CID 139193980
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
ethyl 1-(1-hydroxybutan-2-yl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 90894244

Frequently Asked Questions

What is the IUPAC name of ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate?
The IUPAC name of ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate (CID 15213116) is ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate.
What is the SMILES notation for ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate?
The canonical SMILES for ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate is CCOC(=O)c1cc2c(oc1=O)c(CC)n1cc(C)ccc21.
What is the InChIKey of ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate?
The InChIKey is XKSAOGRVMRHJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-4-13-15-11(14-7-6-10(3)9-18(13)14)8-12(17(20)22-15)16(19)21-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate?
ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-ethyl-7-methyl-2-oxopyrano[3,2-a]indolizine-3-carboxylate is sourced from PubChem (CID 15213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).