3-cyclopentyl-2,5-dimethyl-1H-pyrrole

C11H17N — CID 155322845

IUPAC3-cyclopentyl-2,5-dimethyl-1H-pyrrole
SMILESCc1cc(C2CCCC2)c(C)[nH]1
InChIInChI=1S/C11H17N/c1-8-7-11(9(2)12-8)10-5-3-4-6-10/h7,10,12H,3-6H2,1-2H3
InChIKeyPADFZYJLFHCEJO-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.29
Rot. Bonds1

About 3-cyclopentyl-2,5-dimethyl-1H-pyrrole

3-cyclopentyl-2,5-dimethyl-1H-pyrrole (PubChem CID 155322845) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-cyclopentyl-2,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3-cyclopentyl-2,5-dimethyl-1H-pyrrole
PubChem CID155322845
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-cyclopentyl-2,5-dimethyl-1H-pyrrole
SMILESCc1cc(C2CCCC2)c(C)[nH]1
InChIInChI=1S/C11H17N/c1-8-7-11(9(2)12-8)10-5-3-4-6-10/h7,10,12H,3-6H2,1-2H3
InChIKeyPADFZYJLFHCEJO-UHFFFAOYSA-N
XLogP3.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2,5-dimethyl-1H-pyrrole?
The IUPAC name of 3-cyclopentyl-2,5-dimethyl-1H-pyrrole (CID 155322845) is 3-cyclopentyl-2,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 3-cyclopentyl-2,5-dimethyl-1H-pyrrole?
The canonical SMILES for 3-cyclopentyl-2,5-dimethyl-1H-pyrrole is Cc1cc(C2CCCC2)c(C)[nH]1.
What is the InChIKey of 3-cyclopentyl-2,5-dimethyl-1H-pyrrole?
The InChIKey is PADFZYJLFHCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-7-11(9(2)12-8)10-5-3-4-6-10/h7,10,12H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentyl-2,5-dimethyl-1H-pyrrole?
3-cyclopentyl-2,5-dimethyl-1H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 155322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).