1-ethenylpyrrole

C6H7N — CID 5324683

IUPAC1-ethenylpyrrole
SMILESC=Cn1cccc1
InChIInChI=1S/C6H7N/c1-2-7-5-3-4-6-7/h2-6H,1H2
InChIKeyCTXUTPWZJZHRJC-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.59
Rot. Bonds1

About 1-ethenylpyrrole

1-ethenylpyrrole (PubChem CID 5324683) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 1-ethenylpyrrole.

Molecular Properties

Compound Name1-ethenylpyrrole
PubChem CID5324683
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name1-ethenylpyrrole
SMILESC=Cn1cccc1
InChIInChI=1S/C6H7N/c1-2-7-5-3-4-6-7/h2-6H,1H2
InChIKeyCTXUTPWZJZHRJC-UHFFFAOYSA-N
XLogP1.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrole?
The IUPAC name of 1-ethenylpyrrole (CID 5324683) is 1-ethenylpyrrole.
What is the SMILES notation for 1-ethenylpyrrole?
The canonical SMILES for 1-ethenylpyrrole is C=Cn1cccc1.
What is the InChIKey of 1-ethenylpyrrole?
The InChIKey is CTXUTPWZJZHRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-7-5-3-4-6-7/h2-6H,1H2.
What are the key properties of 1-ethenylpyrrole?
1-ethenylpyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrole is sourced from PubChem (CID 5324683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).