1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole

C15H24N2 — CID 159932555

IUPAC1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole
SMILESCc1cn(C)c(C)c1C.Cc1cn(C)cc1C
InChIInChI=1S/C8H13N.C7H11N/c1-6-5-9(4)8(3)7(6)2;1-6-4-8(3)5-7(6)2/h5H,1-4H3;4-5H,1-3H3
InChIKeyNZVDTECFIUGANJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds

About 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole

1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole (PubChem CID 159932555) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole.

Molecular Properties

Compound Name1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole
PubChem CID159932555
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole
SMILESCc1cn(C)c(C)c1C.Cc1cn(C)cc1C
InChIInChI=1S/C8H13N.C7H11N/c1-6-5-9(4)8(3)7(6)2;1-6-4-8(3)5-7(6)2/h5H,1-4H3;4-5H,1-3H3
InChIKeyNZVDTECFIUGANJ-UHFFFAOYSA-N
XLogP3.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole?
The IUPAC name of 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole (CID 159932555) is 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole.
What is the SMILES notation for 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole?
The canonical SMILES for 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole is Cc1cn(C)c(C)c1C.Cc1cn(C)cc1C.
What is the InChIKey of 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole?
The InChIKey is NZVDTECFIUGANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H11N/c1-6-5-9(4)8(3)7(6)2;1-6-4-8(3)5-7(6)2/h5H,1-4H3;4-5H,1-3H3.
What are the key properties of 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole?
1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole has a molecular weight of 232.37 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylpyrrole;1,3,4-trimethylpyrrole is sourced from PubChem (CID 159932555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).