methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate

C15H11NO3S — CID 165114056

IUPACmethyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2cccs2)n2cccc2c1
InChIInChI=1S/C15H11NO3S/c1-19-15(18)10-8-11-4-2-6-16(11)12(9-10)14(17)13-5-3-7-20-13/h2-9H,1H3
InChIKeyGQLUMPALIZEFJY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.02
Rot. Bonds3

About methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate

methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate (PubChem CID 165114056) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate
PubChem CID165114056
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Namemethyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2cccs2)n2cccc2c1
InChIInChI=1S/C15H11NO3S/c1-19-15(18)10-8-11-4-2-6-16(11)12(9-10)14(17)13-5-3-7-20-13/h2-9H,1H3
InChIKeyGQLUMPALIZEFJY-UHFFFAOYSA-N
XLogP3.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate?
The IUPAC name of methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate (CID 165114056) is methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate.
What is the SMILES notation for methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate?
The canonical SMILES for methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate is COC(=O)c1cc(C(=O)c2cccs2)n2cccc2c1.
What is the InChIKey of methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate?
The InChIKey is GQLUMPALIZEFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c1-19-15(18)10-8-11-4-2-6-16(11)12(9-10)14(17)13-5-3-7-20-13/h2-9H,1H3.
What are the key properties of methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate?
methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(thiophene-2-carbonyl)indolizine-7-carboxylate is sourced from PubChem (CID 165114056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).