5-cyclopropyl-2H-pyrrole

C7H9N — CID 58270105

IUPAC5-cyclopropyl-2H-pyrrole
SMILESC1=CC(C2CC2)=NC1
InChIInChI=1S/C7H9N/c1-2-7(8-5-1)6-3-4-6/h1-2,6H,3-5H2
InChIKeyXOKABONVRVIPJW-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.41
Rot. Bonds1

About 5-cyclopropyl-2H-pyrrole

5-cyclopropyl-2H-pyrrole (PubChem CID 58270105) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 5-cyclopropyl-2H-pyrrole.

Molecular Properties

Compound Name5-cyclopropyl-2H-pyrrole
PubChem CID58270105
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name5-cyclopropyl-2H-pyrrole
SMILESC1=CC(C2CC2)=NC1
InChIInChI=1S/C7H9N/c1-2-7(8-5-1)6-3-4-6/h1-2,6H,3-5H2
InChIKeyXOKABONVRVIPJW-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2H-pyrrole?
The IUPAC name of 5-cyclopropyl-2H-pyrrole (CID 58270105) is 5-cyclopropyl-2H-pyrrole.
What is the SMILES notation for 5-cyclopropyl-2H-pyrrole?
The canonical SMILES for 5-cyclopropyl-2H-pyrrole is C1=CC(C2CC2)=NC1.
What is the InChIKey of 5-cyclopropyl-2H-pyrrole?
The InChIKey is XOKABONVRVIPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-7(8-5-1)6-3-4-6/h1-2,6H,3-5H2.
What are the key properties of 5-cyclopropyl-2H-pyrrole?
5-cyclopropyl-2H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2H-pyrrole is sourced from PubChem (CID 58270105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).