3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine

C20H20N2 — CID 1215027

IUPAC3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine
SMILESCc1c(C)c2ccccn2c1-c1c(C)c(C)c2ccccn12
InChIInChI=1S/C20H20N2/c1-13-15(3)19(21-11-7-5-9-17(13)21)20-16(4)14(2)18-10-6-8-12-22(18)20/h5-12H,1-4H3
InChIKeyFXYBUBYEOWMNSX-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.09
Rot. Bonds1

About 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine

3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine (PubChem CID 1215027) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine.

Molecular Properties

Compound Name3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine
PubChem CID1215027
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine
SMILESCc1c(C)c2ccccn2c1-c1c(C)c(C)c2ccccn12
InChIInChI=1S/C20H20N2/c1-13-15(3)19(21-11-7-5-9-17(13)21)20-16(4)14(2)18-10-6-8-12-22(18)20/h5-12H,1-4H3
InChIKeyFXYBUBYEOWMNSX-UHFFFAOYSA-N
XLogP5.09
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine?
The IUPAC name of 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine (CID 1215027) is 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine.
What is the SMILES notation for 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine?
The canonical SMILES for 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine is Cc1c(C)c2ccccn2c1-c1c(C)c(C)c2ccccn12.
What is the InChIKey of 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine?
The InChIKey is FXYBUBYEOWMNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-15(3)19(21-11-7-5-9-17(13)21)20-16(4)14(2)18-10-6-8-12-22(18)20/h5-12H,1-4H3.
What are the key properties of 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine?
3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine has a molecular weight of 288.39 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylindolizin-3-yl)-1,2-dimethylindolizine is sourced from PubChem (CID 1215027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).