2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole

C11H19N — CID 101126924

IUPAC2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole
SMILESCC(C)Cc1ccc(C(C)C)[nH]1
InChIInChI=1S/C11H19N/c1-8(2)7-10-5-6-11(12-10)9(3)4/h5-6,8-9,12H,7H2,1-4H3
InChIKeyDJDAALFLTDSBOV-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.34
Rot. Bonds3

About 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole

2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole (PubChem CID 101126924) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole
PubChem CID101126924
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole
SMILESCC(C)Cc1ccc(C(C)C)[nH]1
InChIInChI=1S/C11H19N/c1-8(2)7-10-5-6-11(12-10)9(3)4/h5-6,8-9,12H,7H2,1-4H3
InChIKeyDJDAALFLTDSBOV-UHFFFAOYSA-N
XLogP3.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole?
The IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole (CID 101126924) is 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole?
The canonical SMILES for 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole is CC(C)Cc1ccc(C(C)C)[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole?
The InChIKey is DJDAALFLTDSBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)7-10-5-6-11(12-10)9(3)4/h5-6,8-9,12H,7H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole?
2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 101126924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).