1-cyclobutylpyrrole

C8H11N — CID 62414622

IUPAC1-cyclobutylpyrrole
SMILESc1ccn(C2CCC2)c1
InChIInChI=1S/C8H11N/c1-2-7-9(6-1)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyTXBZNVSVLIJJMS-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.21
Rot. Bonds1

About 1-cyclobutylpyrrole

1-cyclobutylpyrrole (PubChem CID 62414622) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-cyclobutylpyrrole.

Molecular Properties

Compound Name1-cyclobutylpyrrole
PubChem CID62414622
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-cyclobutylpyrrole
SMILESc1ccn(C2CCC2)c1
InChIInChI=1S/C8H11N/c1-2-7-9(6-1)8-4-3-5-8/h1-2,6-8H,3-5H2
InChIKeyTXBZNVSVLIJJMS-UHFFFAOYSA-N
XLogP2.21
TPSA4.93 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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpyrrole?
The IUPAC name of 1-cyclobutylpyrrole (CID 62414622) is 1-cyclobutylpyrrole.
What is the SMILES notation for 1-cyclobutylpyrrole?
The canonical SMILES for 1-cyclobutylpyrrole is c1ccn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutylpyrrole?
The InChIKey is TXBZNVSVLIJJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-7-9(6-1)8-4-3-5-8/h1-2,6-8H,3-5H2.
What are the key properties of 1-cyclobutylpyrrole?
1-cyclobutylpyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpyrrole is sourced from PubChem (CID 62414622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).