ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate

C19H14N2O6 — CID 12569353

IUPACethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)c(-c2ccc([N+](=O)[O-])o2)c2ccccn12
InChIInChI=1S/C19H14N2O6/c1-2-25-19(22)18-17(13-7-5-11-26-13)16(12-6-3-4-10-20(12)18)14-8-9-15(27-14)21(23)24/h3-11H,2H2,1H3
InChIKeyQYYHKDJDTAZHEH-UHFFFAOYSA-N
MW366.33 g/mol
LogP4.54
Rot. Bonds5

About ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate

ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate (PubChem CID 12569353) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate
PubChem CID12569353
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Nameethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)c(-c2ccc([N+](=O)[O-])o2)c2ccccn12
InChIInChI=1S/C19H14N2O6/c1-2-25-19(22)18-17(13-7-5-11-26-13)16(12-6-3-4-10-20(12)18)14-8-9-15(27-14)21(23)24/h3-11H,2H2,1H3
InChIKeyQYYHKDJDTAZHEH-UHFFFAOYSA-N
XLogP4.54
TPSA100.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 1-nitroindolizine-2,3-dicarboxylate
CID 139235404
ethyl 2-(2,4-dichlorophenyl)-1-nitroindolizine-3-carboxylate
CID 50901568
ethyl 7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 12067041
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
ethyl 10-methoxy-7,12-dioxonaphtho[2,3-a]indolizine-6-carboxylate
CID 101076102
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
ethyl 2-[(5-nitrofuran-2-yl)methylideneamino]benzoate
CID 122707400
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
methyl 4-(furan-2-yl)-3,5-dinitrobenzoate
CID 168528509
ethyl 1,4-dimethyl-3-(2-nitrophenyl)pyrrole-2-carboxylate
CID 15814157
diethyl 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)propanedioate
CID 71388940
diethyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1049211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate (CID 12569353) is ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate is CCOC(=O)c1c(-c2ccco2)c(-c2ccc([N+](=O)[O-])o2)c2ccccn12.
What is the InChIKey of ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate?
The InChIKey is QYYHKDJDTAZHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O6/c1-2-25-19(22)18-17(13-7-5-11-26-13)16(12-6-3-4-10-20(12)18)14-8-9-15(27-14)21(23)24/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate?
ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate has a molecular weight of 366.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)-1-(5-nitrofuran-2-yl)indolizine-3-carboxylate is sourced from PubChem (CID 12569353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).