5-cyclobutyl-2-methyl-2H-pyrrole

C9H13N — CID 175314386

IUPAC5-cyclobutyl-2-methyl-2H-pyrrole
SMILESCC1C=CC(C2CCC2)=N1
InChIInChI=1S/C9H13N/c1-7-5-6-9(10-7)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyQSBYPTQDKRPUNG-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds1

About 5-cyclobutyl-2-methyl-2H-pyrrole

5-cyclobutyl-2-methyl-2H-pyrrole (PubChem CID 175314386) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-cyclobutyl-2-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-cyclobutyl-2-methyl-2H-pyrrole
PubChem CID175314386
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-cyclobutyl-2-methyl-2H-pyrrole
SMILESCC1C=CC(C2CCC2)=N1
InChIInChI=1S/C9H13N/c1-7-5-6-9(10-7)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyQSBYPTQDKRPUNG-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-methyl-2H-pyrrole?
The IUPAC name of 5-cyclobutyl-2-methyl-2H-pyrrole (CID 175314386) is 5-cyclobutyl-2-methyl-2H-pyrrole.
What is the SMILES notation for 5-cyclobutyl-2-methyl-2H-pyrrole?
The canonical SMILES for 5-cyclobutyl-2-methyl-2H-pyrrole is CC1C=CC(C2CCC2)=N1.
What is the InChIKey of 5-cyclobutyl-2-methyl-2H-pyrrole?
The InChIKey is QSBYPTQDKRPUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-5-6-9(10-7)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 5-cyclobutyl-2-methyl-2H-pyrrole?
5-cyclobutyl-2-methyl-2H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-methyl-2H-pyrrole is sourced from PubChem (CID 175314386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).