2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole

C11H19N — CID 91241629

IUPAC2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole
SMILESCC(C(C)(C)C)C1(C)C=CC=N1
InChIInChI=1S/C11H19N/c1-9(10(2,3)4)11(5)7-6-8-12-11/h6-9H,1-5H3
InChIKeyIVBKINLSWTUESH-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole

2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole (PubChem CID 91241629) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole
PubChem CID91241629
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole
SMILESCC(C(C)(C)C)C1(C)C=CC=N1
InChIInChI=1S/C11H19N/c1-9(10(2,3)4)11(5)7-6-8-12-11/h6-9H,1-5H3
InChIKeyIVBKINLSWTUESH-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129786814
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CID 134895402
2-Non-6-en-4-yl-2-propylpyrrole
CID 56981173
2-But-2-enyl-2-ethylpyrrole
CID 57004955
N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
3-(2-Methylpyrrol-2-yl)butan-2-imine
CID 57035429
2-(2,8-Dimethylnonan-5-yl)-2-ethylpyrrole
CID 57120345
2-Propyl-2-(2,2,8,8-tetramethylnonan-5-yl)pyrrole
CID 57138741
2-Propyl-2-(2,2,8-trimethylnonan-5-yl)pyrrole
CID 57147046
2-Hexan-3-yl-2-pentylpyrrole
CID 57206465
2-Methyl-2-propylpyrrole
CID 57216634
5-methyl-3-(2,3,3-trimethylbutyl)-2H-pyrrole
CID 58051750

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole (CID 91241629) is 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole is CC(C(C)(C)C)C1(C)C=CC=N1.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole?
The InChIKey is IVBKINLSWTUESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9(10(2,3)4)11(5)7-6-8-12-11/h6-9H,1-5H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole?
2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-2-methylpyrrole is sourced from PubChem (CID 91241629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).