2-tert-butyl-3H-pyrrole;2,2-dimethylpropane

C13H25N — CID 91425866

IUPAC2-tert-butyl-3H-pyrrole;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)C1=NC=CC1
InChIInChI=1S/C8H13N.C5H12/c1-8(2,3)7-5-4-6-9-7;1-5(2,3)4/h4,6H,5H2,1-3H3;1-4H3
InChIKeyHJIOPAJZRNSQTG-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.44
Rot. Bonds

About 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane

2-tert-butyl-3H-pyrrole;2,2-dimethylpropane (PubChem CID 91425866) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane.

Molecular Properties

Compound Name2-tert-butyl-3H-pyrrole;2,2-dimethylpropane
PubChem CID91425866
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-tert-butyl-3H-pyrrole;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)C1=NC=CC1
InChIInChI=1S/C8H13N.C5H12/c1-8(2,3)7-5-4-6-9-7;1-5(2,3)4/h4,6H,5H2,1-3H3;1-4H3
InChIKeyHJIOPAJZRNSQTG-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane?
The IUPAC name of 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane (CID 91425866) is 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane.
What is the SMILES notation for 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane?
The canonical SMILES for 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)C1=NC=CC1.
What is the InChIKey of 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane?
The InChIKey is HJIOPAJZRNSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C5H12/c1-8(2,3)7-5-4-6-9-7;1-5(2,3)4/h4,6H,5H2,1-3H3;1-4H3.
What are the key properties of 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane?
2-tert-butyl-3H-pyrrole;2,2-dimethylpropane has a molecular weight of 195.35 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-pyrrole;2,2-dimethylpropane is sourced from PubChem (CID 91425866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).