1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine

C20H20N2 — CID 158207556

IUPAC1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine
SMILESCc1cccc(C)c1-n1c(C)c(C)c2cc3ccccn3c21
InChIInChI=1S/C20H20N2/c1-13-8-7-9-14(2)19(13)22-16(4)15(3)18-12-17-10-5-6-11-21(17)20(18)22/h5-12H,1-4H3
InChIKeyVXFRDSOMZFXQJA-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.12
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine

1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine (PubChem CID 158207556) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine
PubChem CID158207556
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine
SMILESCc1cccc(C)c1-n1c(C)c(C)c2cc3ccccn3c21
InChIInChI=1S/C20H20N2/c1-13-8-7-9-14(2)19(13)22-16(4)15(3)18-12-17-10-5-6-11-21(17)20(18)22/h5-12H,1-4H3
InChIKeyVXFRDSOMZFXQJA-UHFFFAOYSA-N
XLogP5.12
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine?
The IUPAC name of 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine (CID 158207556) is 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine is Cc1cccc(C)c1-n1c(C)c(C)c2cc3ccccn3c21.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine?
The InChIKey is VXFRDSOMZFXQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-13-8-7-9-14(2)19(13)22-16(4)15(3)18-12-17-10-5-6-11-21(17)20(18)22/h5-12H,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine?
1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine has a molecular weight of 288.39 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2,3-dimethylpyrrolo[3,2-b]indolizine is sourced from PubChem (CID 158207556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).