3-tert-butyl-5-ethenyl-2H-pyrrole

C10H15N — CID 58263444

IUPAC3-tert-butyl-5-ethenyl-2H-pyrrole
SMILESC=CC1=NCC(C(C)(C)C)=C1
InChIInChI=1S/C10H15N/c1-5-9-6-8(7-11-9)10(2,3)4/h5-6H,1,7H2,2-4H3
InChIKeyWXQGKODWUOAWIH-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.60
Rot. Bonds1

About 3-tert-butyl-5-ethenyl-2H-pyrrole

3-tert-butyl-5-ethenyl-2H-pyrrole (PubChem CID 58263444) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-tert-butyl-5-ethenyl-2H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-5-ethenyl-2H-pyrrole
PubChem CID58263444
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-tert-butyl-5-ethenyl-2H-pyrrole
SMILESC=CC1=NCC(C(C)(C)C)=C1
InChIInChI=1S/C10H15N/c1-5-9-6-8(7-11-9)10(2,3)4/h5-6H,1,7H2,2-4H3
InChIKeyWXQGKODWUOAWIH-UHFFFAOYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethenyl-2H-pyrrole?
The IUPAC name of 3-tert-butyl-5-ethenyl-2H-pyrrole (CID 58263444) is 3-tert-butyl-5-ethenyl-2H-pyrrole.
What is the SMILES notation for 3-tert-butyl-5-ethenyl-2H-pyrrole?
The canonical SMILES for 3-tert-butyl-5-ethenyl-2H-pyrrole is C=CC1=NCC(C(C)(C)C)=C1.
What is the InChIKey of 3-tert-butyl-5-ethenyl-2H-pyrrole?
The InChIKey is WXQGKODWUOAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-9-6-8(7-11-9)10(2,3)4/h5-6H,1,7H2,2-4H3.
What are the key properties of 3-tert-butyl-5-ethenyl-2H-pyrrole?
3-tert-butyl-5-ethenyl-2H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethenyl-2H-pyrrole is sourced from PubChem (CID 58263444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).