2,2,3,5-tetramethylpyrrole

C8H13N — CID 14342946

IUPAC2,2,3,5-tetramethylpyrrole
SMILESCC1=CC(C)=NC1(C)C
InChIInChI=1S/C8H13N/c1-6-5-7(2)9-8(6,3)4/h5H,1-4H3
InChIKeyYHOVCFFJKMVLTF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About 2,2,3,5-tetramethylpyrrole

2,2,3,5-tetramethylpyrrole (PubChem CID 14342946) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,2,3,5-tetramethylpyrrole.

Molecular Properties

Compound Name2,2,3,5-tetramethylpyrrole
PubChem CID14342946
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,2,3,5-tetramethylpyrrole
SMILESCC1=CC(C)=NC1(C)C
InChIInChI=1S/C8H13N/c1-6-5-7(2)9-8(6,3)4/h5H,1-4H3
InChIKeyYHOVCFFJKMVLTF-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetramethylpyrrole?
The IUPAC name of 2,2,3,5-tetramethylpyrrole (CID 14342946) is 2,2,3,5-tetramethylpyrrole.
What is the SMILES notation for 2,2,3,5-tetramethylpyrrole?
The canonical SMILES for 2,2,3,5-tetramethylpyrrole is CC1=CC(C)=NC1(C)C.
What is the InChIKey of 2,2,3,5-tetramethylpyrrole?
The InChIKey is YHOVCFFJKMVLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-5-7(2)9-8(6,3)4/h5H,1-4H3.
What are the key properties of 2,2,3,5-tetramethylpyrrole?
2,2,3,5-tetramethylpyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethylpyrrole is sourced from PubChem (CID 14342946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).