4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole

C14H25N — CID 170364646

IUPAC4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=NC(C(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-9(2)12-8-11(14(5,6)7)13(15-12)10(3)4/h9-10H,8H2,1-7H3
InChIKeyARQJUOORURSFQB-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.44
Rot. Bonds2

About 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole

4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole (PubChem CID 170364646) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole
PubChem CID170364646
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1=NC(C(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-9(2)12-8-11(14(5,6)7)13(15-12)10(3)4/h9-10H,8H2,1-7H3
InChIKeyARQJUOORURSFQB-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole?
The IUPAC name of 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole (CID 170364646) is 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole.
What is the SMILES notation for 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole?
The canonical SMILES for 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole is CC(C)C1=NC(C(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole?
The InChIKey is ARQJUOORURSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9(2)12-8-11(14(5,6)7)13(15-12)10(3)4/h9-10H,8H2,1-7H3.
What are the key properties of 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole?
4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole is sourced from PubChem (CID 170364646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).