1,2,4,5-tetramethylpyrrol-3-ol

C8H13NO — CID 154104183

IUPAC1,2,4,5-tetramethylpyrrol-3-ol
SMILESCc1c(O)c(C)n(C)c1C
InChIInChI=1S/C8H13NO/c1-5-6(2)9(4)7(3)8(5)10/h10H,1-4H3
InChIKeyGLDAJXOTBRHOLK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.66
Rot. Bonds

About 1,2,4,5-tetramethylpyrrol-3-ol

1,2,4,5-tetramethylpyrrol-3-ol (PubChem CID 154104183) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,4,5-tetramethylpyrrol-3-ol.

Molecular Properties

Compound Name1,2,4,5-tetramethylpyrrol-3-ol
PubChem CID154104183
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,2,4,5-tetramethylpyrrol-3-ol
SMILESCc1c(O)c(C)n(C)c1C
InChIInChI=1S/C8H13NO/c1-5-6(2)9(4)7(3)8(5)10/h10H,1-4H3
InChIKeyGLDAJXOTBRHOLK-UHFFFAOYSA-N
XLogP1.66
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylpyrrol-3-ol?
The IUPAC name of 1,2,4,5-tetramethylpyrrol-3-ol (CID 154104183) is 1,2,4,5-tetramethylpyrrol-3-ol.
What is the SMILES notation for 1,2,4,5-tetramethylpyrrol-3-ol?
The canonical SMILES for 1,2,4,5-tetramethylpyrrol-3-ol is Cc1c(O)c(C)n(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethylpyrrol-3-ol?
The InChIKey is GLDAJXOTBRHOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-6(2)9(4)7(3)8(5)10/h10H,1-4H3.
What are the key properties of 1,2,4,5-tetramethylpyrrol-3-ol?
1,2,4,5-tetramethylpyrrol-3-ol has a molecular weight of 139.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylpyrrol-3-ol is sourced from PubChem (CID 154104183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).