5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile

C14H10N2O2 — CID 12628421

IUPAC5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
SMILESCCn1c2ccccc2c2oc(C#N)cc(=O)c21
InChIInChI=1S/C14H10N2O2/c1-2-16-11-6-4-3-5-10(11)14-13(16)12(17)7-9(8-15)18-14/h3-7H,2H2,1H3
InChIKeyJLYSISATEGWXFV-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.64
Rot. Bonds1

About 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile

5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile (PubChem CID 12628421) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile.

Molecular Properties

Compound Name5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
PubChem CID12628421
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
SMILESCCn1c2ccccc2c2oc(C#N)cc(=O)c21
InChIInChI=1S/C14H10N2O2/c1-2-16-11-6-4-3-5-10(11)14-13(16)12(17)7-9(8-15)18-14/h3-7H,2H2,1H3
InChIKeyJLYSISATEGWXFV-UHFFFAOYSA-N
XLogP2.64
TPSA58.93 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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
The IUPAC name of 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile (CID 12628421) is 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile.
What is the SMILES notation for 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
The canonical SMILES for 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile is CCn1c2ccccc2c2oc(C#N)cc(=O)c21.
What is the InChIKey of 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
The InChIKey is JLYSISATEGWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-2-16-11-6-4-3-5-10(11)14-13(16)12(17)7-9(8-15)18-14/h3-7H,2H2,1H3.
What are the key properties of 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile?
5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile is sourced from PubChem (CID 12628421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).