5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole

C11H19N — CID 58398282

IUPAC5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole
SMILESCC(C)(C)C(C)(C)C1=CCC=N1
InChIInChI=1S/C11H19N/c1-10(2,3)11(4,5)9-7-6-8-12-9/h7-8H,6H2,1-5H3
InChIKeyICVWRGAVOMPQSV-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds1

About 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole

5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole (PubChem CID 58398282) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole
PubChem CID58398282
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole
SMILESCC(C)(C)C(C)(C)C1=CCC=N1
InChIInChI=1S/C11H19N/c1-10(2,3)11(4,5)9-7-6-8-12-9/h7-8H,6H2,1-5H3
InChIKeyICVWRGAVOMPQSV-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole?
The IUPAC name of 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole (CID 58398282) is 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole.
What is the SMILES notation for 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole?
The canonical SMILES for 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole is CC(C)(C)C(C)(C)C1=CCC=N1.
What is the InChIKey of 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole?
The InChIKey is ICVWRGAVOMPQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2,3)11(4,5)9-7-6-8-12-9/h7-8H,6H2,1-5H3.
What are the key properties of 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole?
5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole is sourced from PubChem (CID 58398282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).