2-tert-butyl-4,5-dimethyl-3H-pyrrole

C10H17N — CID 21050596

IUPAC2-tert-butyl-4,5-dimethyl-3H-pyrrole
SMILESCC1=C(C)N=C(C(C)(C)C)C1
InChIInChI=1S/C10H17N/c1-7-6-9(10(3,4)5)11-8(7)2/h6H2,1-5H3
InChIKeyYRLWQZIBOOGUMG-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds

About 2-tert-butyl-4,5-dimethyl-3H-pyrrole

2-tert-butyl-4,5-dimethyl-3H-pyrrole (PubChem CID 21050596) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethyl-3H-pyrrole
PubChem CID21050596
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-tert-butyl-4,5-dimethyl-3H-pyrrole
SMILESCC1=C(C)N=C(C(C)(C)C)C1
InChIInChI=1S/C10H17N/c1-7-6-9(10(3,4)5)11-8(7)2/h6H2,1-5H3
InChIKeyYRLWQZIBOOGUMG-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethyl-3H-pyrrole?
The IUPAC name of 2-tert-butyl-4,5-dimethyl-3H-pyrrole (CID 21050596) is 2-tert-butyl-4,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 2-tert-butyl-4,5-dimethyl-3H-pyrrole?
The canonical SMILES for 2-tert-butyl-4,5-dimethyl-3H-pyrrole is CC1=C(C)N=C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4,5-dimethyl-3H-pyrrole?
The InChIKey is YRLWQZIBOOGUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-6-9(10(3,4)5)11-8(7)2/h6H2,1-5H3.
What are the key properties of 2-tert-butyl-4,5-dimethyl-3H-pyrrole?
2-tert-butyl-4,5-dimethyl-3H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 21050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).