10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile

C14H10N2O2 — CID 23241098

IUPAC10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
SMILESCCc1c2oc(=O)c(C#N)cc2c2ccccn12
InChIInChI=1S/C14H10N2O2/c1-2-11-13-10(7-9(8-15)14(17)18-13)12-5-3-4-6-16(11)12/h3-7H,2H2,1H3
InChIKeyXYJAPWWRXTVJQZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.48
Rot. Bonds1

About 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile

10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile (PubChem CID 23241098) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile.

Molecular Properties

Compound Name10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
PubChem CID23241098
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile
SMILESCCc1c2oc(=O)c(C#N)cc2c2ccccn12
InChIInChI=1S/C14H10N2O2/c1-2-11-13-10(7-9(8-15)14(17)18-13)12-5-3-4-6-16(11)12/h3-7H,2H2,1H3
InChIKeyXYJAPWWRXTVJQZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
The IUPAC name of 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile (CID 23241098) is 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile.
What is the SMILES notation for 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
The canonical SMILES for 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile is CCc1c2oc(=O)c(C#N)cc2c2ccccn12.
What is the InChIKey of 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
The InChIKey is XYJAPWWRXTVJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-2-11-13-10(7-9(8-15)14(17)18-13)12-5-3-4-6-16(11)12/h3-7H,2H2,1H3.
What are the key properties of 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile?
10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-2-oxopyrano[3,2-a]indolizine-3-carbonitrile is sourced from PubChem (CID 23241098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).