4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole

C15H25N — CID 135138849

IUPAC4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole
SMILESCCC1=C(C2CCC(CC)CC2)CN=C1C
InChIInChI=1S/C15H25N/c1-4-12-6-8-13(9-7-12)15-10-16-11(3)14(15)5-2/h12-13H,4-10H2,1-3H3
InChIKeyPSCFDIHTQXVILA-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.38
Rot. Bonds3

About 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole

4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole (PubChem CID 135138849) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole.

Molecular Properties

Compound Name4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole
PubChem CID135138849
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole
SMILESCCC1=C(C2CCC(CC)CC2)CN=C1C
InChIInChI=1S/C15H25N/c1-4-12-6-8-13(9-7-12)15-10-16-11(3)14(15)5-2/h12-13H,4-10H2,1-3H3
InChIKeyPSCFDIHTQXVILA-UHFFFAOYSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole?
The IUPAC name of 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole (CID 135138849) is 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole.
What is the SMILES notation for 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole?
The canonical SMILES for 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole is CCC1=C(C2CCC(CC)CC2)CN=C1C.
What is the InChIKey of 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole?
The InChIKey is PSCFDIHTQXVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-12-6-8-13(9-7-12)15-10-16-11(3)14(15)5-2/h12-13H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole?
4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole has a molecular weight of 219.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-ethylcyclohexyl)-5-methyl-2H-pyrrole is sourced from PubChem (CID 135138849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).