ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate

C18H15NO4S — CID 852119

IUPACethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(C)=O)cc12
InChIInChI=1S/C18H15NO4S/c1-3-23-18(22)13-10-15(17(21)16-5-4-8-24-16)19-7-6-12(11(2)20)9-14(13)19/h4-10H,3H2,1-2H3
InChIKeyPDQZDEARESSTPE-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.61
Rot. Bonds5

About ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate

ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate (PubChem CID 852119) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate
PubChem CID852119
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Nameethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(C)=O)cc12
InChIInChI=1S/C18H15NO4S/c1-3-23-18(22)13-10-15(17(21)16-5-4-8-24-16)19-7-6-12(11(2)20)9-14(13)19/h4-10H,3H2,1-2H3
InChIKeyPDQZDEARESSTPE-UHFFFAOYSA-N
XLogP3.61
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate (CID 852119) is ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(C)=O)cc12.
What is the InChIKey of ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
The InChIKey is PDQZDEARESSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-3-23-18(22)13-10-15(17(21)16-5-4-8-24-16)19-7-6-12(11(2)20)9-14(13)19/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate?
ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-acetyl-3-(thiophene-2-carbonyl)indolizine-1-carboxylate is sourced from PubChem (CID 852119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).