1-indolizin-1-ylindolizine

C16H12N2 — CID 123620221

IUPAC1-indolizin-1-ylindolizine
SMILESc1ccn2ccc(-c3ccn4ccccc34)c2c1
InChIInChI=1S/C16H12N2/c1-3-9-17-11-7-13(15(17)5-1)14-8-12-18-10-4-2-6-16(14)18/h1-12H
InChIKeyNGKCYCJGAMCYFR-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.86
Rot. Bonds1

About 1-indolizin-1-ylindolizine

1-indolizin-1-ylindolizine (PubChem CID 123620221) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-indolizin-1-ylindolizine.

Molecular Properties

Compound Name1-indolizin-1-ylindolizine
PubChem CID123620221
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name1-indolizin-1-ylindolizine
SMILESc1ccn2ccc(-c3ccn4ccccc34)c2c1
InChIInChI=1S/C16H12N2/c1-3-9-17-11-7-13(15(17)5-1)14-8-12-18-10-4-2-6-16(14)18/h1-12H
InChIKeyNGKCYCJGAMCYFR-UHFFFAOYSA-N
XLogP3.86
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-indolizin-1-ylindolizine?
The IUPAC name of 1-indolizin-1-ylindolizine (CID 123620221) is 1-indolizin-1-ylindolizine.
What is the SMILES notation for 1-indolizin-1-ylindolizine?
The canonical SMILES for 1-indolizin-1-ylindolizine is c1ccn2ccc(-c3ccn4ccccc34)c2c1.
What is the InChIKey of 1-indolizin-1-ylindolizine?
The InChIKey is NGKCYCJGAMCYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-3-9-17-11-7-13(15(17)5-1)14-8-12-18-10-4-2-6-16(14)18/h1-12H.
What are the key properties of 1-indolizin-1-ylindolizine?
1-indolizin-1-ylindolizine has a molecular weight of 232.29 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indolizin-1-ylindolizine is sourced from PubChem (CID 123620221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).