6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile

C14H10N2O2S — CID 71734329

IUPAC6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
SMILESN#Cc1cc(-c2csc(C=O)c2)c(=O)n2c1CCC2
InChIInChI=1S/C14H10N2O2S/c15-6-9-5-12(10-4-11(7-17)19-8-10)14(18)16-3-1-2-13(9)16/h4-5,7-8H,1-3H2
InChIKeyLXNROLJJXNMZSI-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.21
Rot. Bonds2

About 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile

6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile (PubChem CID 71734329) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile.

Molecular Properties

Compound Name6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
PubChem CID71734329
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile
SMILESN#Cc1cc(-c2csc(C=O)c2)c(=O)n2c1CCC2
InChIInChI=1S/C14H10N2O2S/c15-6-9-5-12(10-4-11(7-17)19-8-10)14(18)16-3-1-2-13(9)16/h4-5,7-8H,1-3H2
InChIKeyLXNROLJJXNMZSI-UHFFFAOYSA-N
XLogP2.21
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
The IUPAC name of 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile (CID 71734329) is 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile.
What is the SMILES notation for 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
The canonical SMILES for 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile is N#Cc1cc(-c2csc(C=O)c2)c(=O)n2c1CCC2.
What is the InChIKey of 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
The InChIKey is LXNROLJJXNMZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-6-9-5-12(10-4-11(7-17)19-8-10)14(18)16-3-1-2-13(9)16/h4-5,7-8H,1-3H2.
What are the key properties of 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile?
6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-formylthiophen-3-yl)-5-oxo-2,3-dihydro-1H-indolizine-8-carbonitrile is sourced from PubChem (CID 71734329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).