5-cyclohexyl-2-methyl-3H-pyrrole

C11H17N — CID 59603381

IUPAC5-cyclohexyl-2-methyl-3H-pyrrole
SMILESCC1=NC(C2CCCCC2)=CC1
InChIInChI=1S/C11H17N/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyKPLIGUVVSBUBNC-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.32
Rot. Bonds1

About 5-cyclohexyl-2-methyl-3H-pyrrole

5-cyclohexyl-2-methyl-3H-pyrrole (PubChem CID 59603381) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-3H-pyrrole.

Molecular Properties

Compound Name5-cyclohexyl-2-methyl-3H-pyrrole
PubChem CID59603381
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-cyclohexyl-2-methyl-3H-pyrrole
SMILESCC1=NC(C2CCCCC2)=CC1
InChIInChI=1S/C11H17N/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyKPLIGUVVSBUBNC-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyl-3H-pyrrole?
The IUPAC name of 5-cyclohexyl-2-methyl-3H-pyrrole (CID 59603381) is 5-cyclohexyl-2-methyl-3H-pyrrole.
What is the SMILES notation for 5-cyclohexyl-2-methyl-3H-pyrrole?
The canonical SMILES for 5-cyclohexyl-2-methyl-3H-pyrrole is CC1=NC(C2CCCCC2)=CC1.
What is the InChIKey of 5-cyclohexyl-2-methyl-3H-pyrrole?
The InChIKey is KPLIGUVVSBUBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 5-cyclohexyl-2-methyl-3H-pyrrole?
5-cyclohexyl-2-methyl-3H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 59603381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).