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

C10H15N — CID 118180409

IUPAC4-tert-butyl-2-ethenyl-3H-pyrrole
SMILESC=CC1=NC=C(C(C)(C)C)C1
InChIInChI=1S/C10H15N/c1-5-9-6-8(7-11-9)10(2,3)4/h5,7H,1,6H2,2-4H3
InChIKeyOUDLXQYYLOJGTB-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds1

About 4-tert-butyl-2-ethenyl-3H-pyrrole

4-tert-butyl-2-ethenyl-3H-pyrrole (PubChem CID 118180409) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-tert-butyl-2-ethenyl-3H-pyrrole.

Molecular Properties

Compound Name4-tert-butyl-2-ethenyl-3H-pyrrole
PubChem CID118180409
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-tert-butyl-2-ethenyl-3H-pyrrole
SMILESC=CC1=NC=C(C(C)(C)C)C1
InChIInChI=1S/C10H15N/c1-5-9-6-8(7-11-9)10(2,3)4/h5,7H,1,6H2,2-4H3
InChIKeyOUDLXQYYLOJGTB-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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-ethenyl-3H-pyrrole?
The IUPAC name of 4-tert-butyl-2-ethenyl-3H-pyrrole (CID 118180409) is 4-tert-butyl-2-ethenyl-3H-pyrrole.
What is the SMILES notation for 4-tert-butyl-2-ethenyl-3H-pyrrole?
The canonical SMILES for 4-tert-butyl-2-ethenyl-3H-pyrrole is C=CC1=NC=C(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-2-ethenyl-3H-pyrrole?
The InChIKey is OUDLXQYYLOJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-9-6-8(7-11-9)10(2,3)4/h5,7H,1,6H2,2-4H3.
What are the key properties of 4-tert-butyl-2-ethenyl-3H-pyrrole?
4-tert-butyl-2-ethenyl-3H-pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethenyl-3H-pyrrole is sourced from PubChem (CID 118180409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).