2-ethenyl-3,4-dimethyl-1H-pyrrole

C8H11N — CID 144990960

IUPAC2-ethenyl-3,4-dimethyl-1H-pyrrole
SMILESC=Cc1[nH]cc(C)c1C
InChIInChI=1S/C8H11N/c1-4-8-7(3)6(2)5-9-8/h4-5,9H,1H2,2-3H3
InChIKeyLZRBYVNOIQHUNW-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.27
Rot. Bonds1

About 2-ethenyl-3,4-dimethyl-1H-pyrrole

2-ethenyl-3,4-dimethyl-1H-pyrrole (PubChem CID 144990960) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-ethenyl-3,4-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-3,4-dimethyl-1H-pyrrole
PubChem CID144990960
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-ethenyl-3,4-dimethyl-1H-pyrrole
SMILESC=Cc1[nH]cc(C)c1C
InChIInChI=1S/C8H11N/c1-4-8-7(3)6(2)5-9-8/h4-5,9H,1H2,2-3H3
InChIKeyLZRBYVNOIQHUNW-UHFFFAOYSA-N
XLogP2.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3,4-dimethyl-1H-pyrrole?
The IUPAC name of 2-ethenyl-3,4-dimethyl-1H-pyrrole (CID 144990960) is 2-ethenyl-3,4-dimethyl-1H-pyrrole.
What is the SMILES notation for 2-ethenyl-3,4-dimethyl-1H-pyrrole?
The canonical SMILES for 2-ethenyl-3,4-dimethyl-1H-pyrrole is C=Cc1[nH]cc(C)c1C.
What is the InChIKey of 2-ethenyl-3,4-dimethyl-1H-pyrrole?
The InChIKey is LZRBYVNOIQHUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-4-8-7(3)6(2)5-9-8/h4-5,9H,1H2,2-3H3.
What are the key properties of 2-ethenyl-3,4-dimethyl-1H-pyrrole?
2-ethenyl-3,4-dimethyl-1H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3,4-dimethyl-1H-pyrrole is sourced from PubChem (CID 144990960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).