2-tert-butyl-4-propan-2-yl-3H-pyrrole

C11H19N — CID 58490892

IUPAC2-tert-butyl-4-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=CN=C(C(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-8(2)9-6-10(12-7-9)11(3,4)5/h7-8H,6H2,1-5H3
InChIKeyRAGCGGIJTDVDFV-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.42
Rot. Bonds1

About 2-tert-butyl-4-propan-2-yl-3H-pyrrole

2-tert-butyl-4-propan-2-yl-3H-pyrrole (PubChem CID 58490892) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-yl-3H-pyrrole
PubChem CID58490892
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-tert-butyl-4-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=CN=C(C(C)(C)C)C1
InChIInChI=1S/C11H19N/c1-8(2)9-6-10(12-7-9)11(3,4)5/h7-8H,6H2,1-5H3
InChIKeyRAGCGGIJTDVDFV-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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Related Compounds

2-(1-Fluoroethyl)-5-(2-methylpropyl)-3,4-dihydropyridine
CID 170274335
4-tert-butyl-2-methyl-3H-pyrrole
CID 20737593
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
2,4-ditert-butyl-3H-pyrrole
CID 59825006
4-methyl-2-propan-2-yl-3H-pyrrole
CID 60081030
2,4-di(propan-2-yl)-3H-pyrrole
CID 60102688
3-Hexyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 71140778
2-Butan-2-yl-5-methyl-3,4-dihydropyridine
CID 89004526
2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
CID 89034784
3-methyl-2,4-di(propan-2-yl)-3H-pyrrole
CID 89308388
4-(2,2-dimethylpropyl)-2-ethyl-3H-pyrrole
CID 89324571
N-[(E)-2,4,4-trimethylpent-1-enyl]butan-2-imine
CID 89324734

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-yl-3H-pyrrole?
The IUPAC name of 2-tert-butyl-4-propan-2-yl-3H-pyrrole (CID 58490892) is 2-tert-butyl-4-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 2-tert-butyl-4-propan-2-yl-3H-pyrrole?
The canonical SMILES for 2-tert-butyl-4-propan-2-yl-3H-pyrrole is CC(C)C1=CN=C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-propan-2-yl-3H-pyrrole?
The InChIKey is RAGCGGIJTDVDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)9-6-10(12-7-9)11(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-4-propan-2-yl-3H-pyrrole?
2-tert-butyl-4-propan-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 2-tert-butyl-4-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 58490892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).