4-methyl-2,5-di(propan-2-yl)-2H-pyrrole

C11H19N — CID 58402716

IUPAC4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
SMILESCC1=CC(C(C)C)N=C1C(C)C
InChIInChI=1S/C11H19N/c1-7(2)10-6-9(5)11(12-10)8(3)4/h6-8,10H,1-5H3
InChIKeyMGWVFZQUSQUFEF-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds2

About 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole

4-methyl-2,5-di(propan-2-yl)-2H-pyrrole (PubChem CID 58402716) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
PubChem CID58402716
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
SMILESCC1=CC(C(C)C)N=C1C(C)C
InChIInChI=1S/C11H19N/c1-7(2)10-6-9(5)11(12-10)8(3)4/h6-8,10H,1-5H3
InChIKeyMGWVFZQUSQUFEF-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole?
The IUPAC name of 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole (CID 58402716) is 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole.
What is the SMILES notation for 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole?
The canonical SMILES for 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole is CC1=CC(C(C)C)N=C1C(C)C.
What is the InChIKey of 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole?
The InChIKey is MGWVFZQUSQUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7(2)10-6-9(5)11(12-10)8(3)4/h6-8,10H,1-5H3.
What are the key properties of 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole?
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-di(propan-2-yl)-2H-pyrrole is sourced from PubChem (CID 58402716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).