3,4-diethyl-1,2,5-trimethylpyrrole

C11H19N — CID 15711936

IUPAC3,4-diethyl-1,2,5-trimethylpyrrole
SMILESCCc1c(CC)c(C)n(C)c1C
InChIInChI=1S/C11H19N/c1-6-10-8(3)12(5)9(4)11(10)7-2/h6-7H2,1-5H3
InChIKeyFBZHGLAFDIPXFU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.77
Rot. Bonds2

About 3,4-diethyl-1,2,5-trimethylpyrrole

3,4-diethyl-1,2,5-trimethylpyrrole (PubChem CID 15711936) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,4-diethyl-1,2,5-trimethylpyrrole.

Molecular Properties

Compound Name3,4-diethyl-1,2,5-trimethylpyrrole
PubChem CID15711936
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,4-diethyl-1,2,5-trimethylpyrrole
SMILESCCc1c(CC)c(C)n(C)c1C
InChIInChI=1S/C11H19N/c1-6-10-8(3)12(5)9(4)11(10)7-2/h6-7H2,1-5H3
InChIKeyFBZHGLAFDIPXFU-UHFFFAOYSA-N
XLogP2.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1,2,5-trimethylpyrrole?
The IUPAC name of 3,4-diethyl-1,2,5-trimethylpyrrole (CID 15711936) is 3,4-diethyl-1,2,5-trimethylpyrrole.
What is the SMILES notation for 3,4-diethyl-1,2,5-trimethylpyrrole?
The canonical SMILES for 3,4-diethyl-1,2,5-trimethylpyrrole is CCc1c(CC)c(C)n(C)c1C.
What is the InChIKey of 3,4-diethyl-1,2,5-trimethylpyrrole?
The InChIKey is FBZHGLAFDIPXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-10-8(3)12(5)9(4)11(10)7-2/h6-7H2,1-5H3.
What are the key properties of 3,4-diethyl-1,2,5-trimethylpyrrole?
3,4-diethyl-1,2,5-trimethylpyrrole has a molecular weight of 165.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1,2,5-trimethylpyrrole is sourced from PubChem (CID 15711936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).