5-cyclobutyl-2H-pyrrole

C8H11N — CID 58270089

IUPAC5-cyclobutyl-2H-pyrrole
SMILESC1=CC(C2CCC2)=NC1
InChIInChI=1S/C8H11N/c1-3-7(4-1)8-5-2-6-9-8/h2,5,7H,1,3-4,6H2
InChIKeyNWAAWBUYQQYYEP-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.80
Rot. Bonds1

About 5-cyclobutyl-2H-pyrrole

5-cyclobutyl-2H-pyrrole (PubChem CID 58270089) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 5-cyclobutyl-2H-pyrrole.

Molecular Properties

Compound Name5-cyclobutyl-2H-pyrrole
PubChem CID58270089
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name5-cyclobutyl-2H-pyrrole
SMILESC1=CC(C2CCC2)=NC1
InChIInChI=1S/C8H11N/c1-3-7(4-1)8-5-2-6-9-8/h2,5,7H,1,3-4,6H2
InChIKeyNWAAWBUYQQYYEP-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-cyclobutyl-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2H-pyrrole?
The IUPAC name of 5-cyclobutyl-2H-pyrrole (CID 58270089) is 5-cyclobutyl-2H-pyrrole.
What is the SMILES notation for 5-cyclobutyl-2H-pyrrole?
The canonical SMILES for 5-cyclobutyl-2H-pyrrole is C1=CC(C2CCC2)=NC1.
What is the InChIKey of 5-cyclobutyl-2H-pyrrole?
The InChIKey is NWAAWBUYQQYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-7(4-1)8-5-2-6-9-8/h2,5,7H,1,3-4,6H2.
What are the key properties of 5-cyclobutyl-2H-pyrrole?
5-cyclobutyl-2H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2H-pyrrole is sourced from PubChem (CID 58270089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).