3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole

C16H24N2 — CID 138525050

IUPAC3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole
SMILESCC(C)(C)C1=CC(C2C=CC(C(C)(C)C)=N2)=NC1
InChIInChI=1S/C16H24N2/c1-15(2,3)11-9-13(17-10-11)12-7-8-14(18-12)16(4,5)6/h7-9,12H,10H2,1-6H3
InChIKeyFUPAMTBMEAWMLR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.84
Rot. Bonds1

About 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole

3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole (PubChem CID 138525050) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole
PubChem CID138525050
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole
SMILESCC(C)(C)C1=CC(C2C=CC(C(C)(C)C)=N2)=NC1
InChIInChI=1S/C16H24N2/c1-15(2,3)11-9-13(17-10-11)12-7-8-14(18-12)16(4,5)6/h7-9,12H,10H2,1-6H3
InChIKeyFUPAMTBMEAWMLR-UHFFFAOYSA-N
XLogP3.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole?
The IUPAC name of 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole (CID 138525050) is 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole.
What is the SMILES notation for 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole?
The canonical SMILES for 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole is CC(C)(C)C1=CC(C2C=CC(C(C)(C)C)=N2)=NC1.
What is the InChIKey of 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole?
The InChIKey is FUPAMTBMEAWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)11-9-13(17-10-11)12-7-8-14(18-12)16(4,5)6/h7-9,12H,10H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole?
3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole has a molecular weight of 244.38 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(5-tert-butyl-2H-pyrrol-2-yl)-2H-pyrrole is sourced from PubChem (CID 138525050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).