1-ethenyl-3-ethylpyrrole

C8H11N — CID 15688596

IUPAC1-ethenyl-3-ethylpyrrole
SMILESC=Cn1ccc(CC)c1
InChIInChI=1S/C8H11N/c1-3-8-5-6-9(4-2)7-8/h4-7H,2-3H2,1H3
InChIKeyPRLALBHLUAZLKR-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.15
Rot. Bonds2

About 1-ethenyl-3-ethylpyrrole

1-ethenyl-3-ethylpyrrole (PubChem CID 15688596) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-ethenyl-3-ethylpyrrole.

Molecular Properties

Compound Name1-ethenyl-3-ethylpyrrole
PubChem CID15688596
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-ethenyl-3-ethylpyrrole
SMILESC=Cn1ccc(CC)c1
InChIInChI=1S/C8H11N/c1-3-8-5-6-9(4-2)7-8/h4-7H,2-3H2,1H3
InChIKeyPRLALBHLUAZLKR-UHFFFAOYSA-N
XLogP2.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethylpyrrole?
The IUPAC name of 1-ethenyl-3-ethylpyrrole (CID 15688596) is 1-ethenyl-3-ethylpyrrole.
What is the SMILES notation for 1-ethenyl-3-ethylpyrrole?
The canonical SMILES for 1-ethenyl-3-ethylpyrrole is C=Cn1ccc(CC)c1.
What is the InChIKey of 1-ethenyl-3-ethylpyrrole?
The InChIKey is PRLALBHLUAZLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-5-6-9(4-2)7-8/h4-7H,2-3H2,1H3.
What are the key properties of 1-ethenyl-3-ethylpyrrole?
1-ethenyl-3-ethylpyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethylpyrrole is sourced from PubChem (CID 15688596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).