3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine

C21H22N2 — CID 1214543

IUPAC3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
SMILESCc1c(C)c2ccccn2c1Cc1c(C)c(C)c2ccccn12
InChIInChI=1S/C21H22N2/c1-14-16(3)20(22-11-7-5-9-18(14)22)13-21-17(4)15(2)19-10-6-8-12-23(19)21/h5-12H,13H2,1-4H3
InChIKeyGNKQGFHDNCQCQL-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.02
Rot. Bonds2

About 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine

3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine (PubChem CID 1214543) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine.

Molecular Properties

Compound Name3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
PubChem CID1214543
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
SMILESCc1c(C)c2ccccn2c1Cc1c(C)c(C)c2ccccn12
InChIInChI=1S/C21H22N2/c1-14-16(3)20(22-11-7-5-9-18(14)22)13-21-17(4)15(2)19-10-6-8-12-23(19)21/h5-12H,13H2,1-4H3
InChIKeyGNKQGFHDNCQCQL-UHFFFAOYSA-N
XLogP5.02
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.02
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)methyl]-1,2-dimethylindolizine?
The IUPAC name of 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine (CID 1214543) is 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine.
What is the SMILES notation for 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine?
The canonical SMILES for 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine is Cc1c(C)c2ccccn2c1Cc1c(C)c(C)c2ccccn12.
What is the InChIKey of 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine?
The InChIKey is GNKQGFHDNCQCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-14-16(3)20(22-11-7-5-9-18(14)22)13-21-17(4)15(2)19-10-6-8-12-23(19)21/h5-12H,13H2,1-4H3.
What are the key properties of 3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine?
3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine has a molecular weight of 302.42 g/mol, XLogP of 5.02, 2 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)methyl]-1,2-dimethylindolizine is sourced from PubChem (CID 1214543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).