2-methyl-1,5-di(propan-2-yl)pyrrole

C11H19N — CID 91672099

IUPAC2-methyl-1,5-di(propan-2-yl)pyrrole
SMILESCc1ccc(C(C)C)n1C(C)C
InChIInChI=1S/C11H19N/c1-8(2)11-7-6-10(5)12(11)9(3)4/h6-9H,1-5H3
InChIKeyQCYOQDUQEGEMBS-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.50
Rot. Bonds2

About 2-methyl-1,5-di(propan-2-yl)pyrrole

2-methyl-1,5-di(propan-2-yl)pyrrole (PubChem CID 91672099) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-1,5-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name2-methyl-1,5-di(propan-2-yl)pyrrole
PubChem CID91672099
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-1,5-di(propan-2-yl)pyrrole
SMILESCc1ccc(C(C)C)n1C(C)C
InChIInChI=1S/C11H19N/c1-8(2)11-7-6-10(5)12(11)9(3)4/h6-9H,1-5H3
InChIKeyQCYOQDUQEGEMBS-UHFFFAOYSA-N
XLogP3.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-di(propan-2-yl)pyrrole?
The IUPAC name of 2-methyl-1,5-di(propan-2-yl)pyrrole (CID 91672099) is 2-methyl-1,5-di(propan-2-yl)pyrrole.
What is the SMILES notation for 2-methyl-1,5-di(propan-2-yl)pyrrole?
The canonical SMILES for 2-methyl-1,5-di(propan-2-yl)pyrrole is Cc1ccc(C(C)C)n1C(C)C.
What is the InChIKey of 2-methyl-1,5-di(propan-2-yl)pyrrole?
The InChIKey is QCYOQDUQEGEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)11-7-6-10(5)12(11)9(3)4/h6-9H,1-5H3.
What are the key properties of 2-methyl-1,5-di(propan-2-yl)pyrrole?
2-methyl-1,5-di(propan-2-yl)pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-di(propan-2-yl)pyrrole is sourced from PubChem (CID 91672099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).