4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole

C11H19N — CID 89324571

IUPAC4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole
SMILESCCC1=NC=C(CC(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-5-10-6-9(8-12-10)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyPIOYNDKSLBMTOM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.56
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole

4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole (PubChem CID 89324571) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole
PubChem CID89324571
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole
SMILESCCC1=NC=C(CC(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-5-10-6-9(8-12-10)7-11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyPIOYNDKSLBMTOM-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole (CID 89324571) is 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole is CCC1=NC=C(CC(C)(C)C)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole?
The InChIKey is PIOYNDKSLBMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10-6-9(8-12-10)7-11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole?
4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole is sourced from PubChem (CID 89324571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).