1-hydroxy-3,4-dimethylpyrrol-2-ol

C6H9NO2 — CID 171393951

IUPAC1-hydroxy-3,4-dimethylpyrrol-2-ol
SMILESCc1cn(O)c(O)c1C
InChIInChI=1S/C6H9NO2/c1-4-3-7(9)6(8)5(4)2/h3,8-9H,1-2H3
InChIKeyHOJAYMZMFFJBGK-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.05
Rot. Bonds

About 1-hydroxy-3,4-dimethylpyrrol-2-ol

1-hydroxy-3,4-dimethylpyrrol-2-ol (PubChem CID 171393951) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-hydroxy-3,4-dimethylpyrrol-2-ol.

Molecular Properties

Compound Name1-hydroxy-3,4-dimethylpyrrol-2-ol
PubChem CID171393951
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-hydroxy-3,4-dimethylpyrrol-2-ol
SMILESCc1cn(O)c(O)c1C
InChIInChI=1S/C6H9NO2/c1-4-3-7(9)6(8)5(4)2/h3,8-9H,1-2H3
InChIKeyHOJAYMZMFFJBGK-UHFFFAOYSA-N
XLogP1.05
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

Dioxypyrrole
CID 21225236
1-Amino-3-fluoro-4-methylpyrrol-2-ol
CID 163581852
3,4-Dimethyl-1-propan-2-ylpyrrol-2-ol
CID 134891005
3,4-Dimethyl-1H-pyrrol-2-ol
CID 13795006
1-Methoxypyrrol-2-ol
CID 18184953
1,4-Dimethylpyrrol-2-ol
CID 21702812
1,3-Dimethylpyrrol-2-ol
CID 21702831
1,3,4-Trimethylpyrrole-2,5-diol
CID 54321733
1-Methoxy-3,4-dimethylpyrrole-2,5-diol
CID 91357511
1-Hydroxy-3,4-dimethylpyrrole-2,5-diol
CID 91413463
1-Ethyl-3,4-dimethylpyrrole-2,5-diol
CID 91502885
4-Ethenyl-1-methylpyrrol-2-ol
CID 91519188

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dimethylpyrrol-2-ol?
The IUPAC name of 1-hydroxy-3,4-dimethylpyrrol-2-ol (CID 171393951) is 1-hydroxy-3,4-dimethylpyrrol-2-ol.
What is the SMILES notation for 1-hydroxy-3,4-dimethylpyrrol-2-ol?
The canonical SMILES for 1-hydroxy-3,4-dimethylpyrrol-2-ol is Cc1cn(O)c(O)c1C.
What is the InChIKey of 1-hydroxy-3,4-dimethylpyrrol-2-ol?
The InChIKey is HOJAYMZMFFJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-7(9)6(8)5(4)2/h3,8-9H,1-2H3.
What are the key properties of 1-hydroxy-3,4-dimethylpyrrol-2-ol?
1-hydroxy-3,4-dimethylpyrrol-2-ol has a molecular weight of 127.14 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dimethylpyrrol-2-ol is sourced from PubChem (CID 171393951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).