2,3-bis(ethenyl)-1-methylpyrrole

C9H11N — CID 66833587

IUPAC2,3-bis(ethenyl)-1-methylpyrrole
SMILESC=Cc1ccn(C)c1C=C
InChIInChI=1S/C9H11N/c1-4-8-6-7-10(3)9(8)5-2/h4-7H,1-2H2,3H3
InChIKeyLLCAZCGDLSKZTM-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.31
Rot. Bonds2

About 2,3-bis(ethenyl)-1-methylpyrrole

2,3-bis(ethenyl)-1-methylpyrrole (PubChem CID 66833587) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-methylpyrrole
PubChem CID66833587
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2,3-bis(ethenyl)-1-methylpyrrole
SMILESC=Cc1ccn(C)c1C=C
InChIInChI=1S/C9H11N/c1-4-8-6-7-10(3)9(8)5-2/h4-7H,1-2H2,3H3
InChIKeyLLCAZCGDLSKZTM-UHFFFAOYSA-N
XLogP2.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-methylpyrrole?
The IUPAC name of 2,3-bis(ethenyl)-1-methylpyrrole (CID 66833587) is 2,3-bis(ethenyl)-1-methylpyrrole.
What is the SMILES notation for 2,3-bis(ethenyl)-1-methylpyrrole?
The canonical SMILES for 2,3-bis(ethenyl)-1-methylpyrrole is C=Cc1ccn(C)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-1-methylpyrrole?
The InChIKey is LLCAZCGDLSKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-4-8-6-7-10(3)9(8)5-2/h4-7H,1-2H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-1-methylpyrrole?
2,3-bis(ethenyl)-1-methylpyrrole has a molecular weight of 133.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-methylpyrrole is sourced from PubChem (CID 66833587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).