1-tert-butyl-2-ethenylpyrrole

C10H15N — CID 45088224

IUPAC1-tert-butyl-2-ethenylpyrrole
SMILESC=Cc1cccn1C(C)(C)C
InChIInChI=1S/C10H15N/c1-5-9-7-6-8-11(9)10(2,3)4/h5-8H,1H2,2-4H3
InChIKeyZUABWJBYTPYZMM-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.89
Rot. Bonds1

About 1-tert-butyl-2-ethenylpyrrole

1-tert-butyl-2-ethenylpyrrole (PubChem CID 45088224) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-tert-butyl-2-ethenylpyrrole.

Molecular Properties

Compound Name1-tert-butyl-2-ethenylpyrrole
PubChem CID45088224
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-tert-butyl-2-ethenylpyrrole
SMILESC=Cc1cccn1C(C)(C)C
InChIInChI=1S/C10H15N/c1-5-9-7-6-8-11(9)10(2,3)4/h5-8H,1H2,2-4H3
InChIKeyZUABWJBYTPYZMM-UHFFFAOYSA-N
XLogP2.89
TPSA4.93 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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethenylpyrrole?
The IUPAC name of 1-tert-butyl-2-ethenylpyrrole (CID 45088224) is 1-tert-butyl-2-ethenylpyrrole.
What is the SMILES notation for 1-tert-butyl-2-ethenylpyrrole?
The canonical SMILES for 1-tert-butyl-2-ethenylpyrrole is C=Cc1cccn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-ethenylpyrrole?
The InChIKey is ZUABWJBYTPYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-9-7-6-8-11(9)10(2,3)4/h5-8H,1H2,2-4H3.
What are the key properties of 1-tert-butyl-2-ethenylpyrrole?
1-tert-butyl-2-ethenylpyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethenylpyrrole is sourced from PubChem (CID 45088224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).