2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole

C11H19N — CID 164937330

IUPAC2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole
SMILESCc1cc(CC(C)(C)C)n(C)c1
InChIInChI=1S/C11H19N/c1-9-6-10(12(5)8-9)7-11(2,3)4/h6,8H,7H2,1-5H3
InChIKeyZVXKVYYHTJYLHG-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.92
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole

2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole (PubChem CID 164937330) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole
PubChem CID164937330
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole
SMILESCc1cc(CC(C)(C)C)n(C)c1
InChIInChI=1S/C11H19N/c1-9-6-10(12(5)8-9)7-11(2,3)4/h6,8H,7H2,1-5H3
InChIKeyZVXKVYYHTJYLHG-UHFFFAOYSA-N
XLogP2.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole (CID 164937330) is 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole is Cc1cc(CC(C)(C)C)n(C)c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole?
The InChIKey is ZVXKVYYHTJYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-6-10(12(5)8-9)7-11(2,3)4/h6,8H,7H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole?
2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole is sourced from PubChem (CID 164937330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).