4-ethenyl-3H-pyrrole

C6H7N — CID 162103287

IUPAC4-ethenyl-3H-pyrrole
SMILESC=CC1=CN=CC1
InChIInChI=1S/C6H7N/c1-2-6-3-4-7-5-6/h2,4-5H,1,3H2
InChIKeyZFEAXSQKWORALC-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.53
Rot. Bonds1

About 4-ethenyl-3H-pyrrole

4-ethenyl-3H-pyrrole (PubChem CID 162103287) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 4-ethenyl-3H-pyrrole.

Molecular Properties

Compound Name4-ethenyl-3H-pyrrole
PubChem CID162103287
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name4-ethenyl-3H-pyrrole
SMILESC=CC1=CN=CC1
InChIInChI=1S/C6H7N/c1-2-6-3-4-7-5-6/h2,4-5H,1,3H2
InChIKeyZFEAXSQKWORALC-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3H-pyrrole?
The IUPAC name of 4-ethenyl-3H-pyrrole (CID 162103287) is 4-ethenyl-3H-pyrrole.
What is the SMILES notation for 4-ethenyl-3H-pyrrole?
The canonical SMILES for 4-ethenyl-3H-pyrrole is C=CC1=CN=CC1.
What is the InChIKey of 4-ethenyl-3H-pyrrole?
The InChIKey is ZFEAXSQKWORALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-3-4-7-5-6/h2,4-5H,1,3H2.
What are the key properties of 4-ethenyl-3H-pyrrole?
4-ethenyl-3H-pyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3H-pyrrole is sourced from PubChem (CID 162103287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).