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

C7H11NO2 — CID 54321733

IUPAC1,3,4-trimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(C)c1O
InChIInChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h9-10H,1-3H3
InChIKeySSDGEGGMIOSNEE-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.05
Rot. Bonds

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

1,3,4-trimethylpyrrole-2,5-diol (PubChem CID 54321733) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,3,4-trimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1,3,4-trimethylpyrrole-2,5-diol
PubChem CID54321733
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,3,4-trimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(C)c1O
InChIInChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h9-10H,1-3H3
InChIKeySSDGEGGMIOSNEE-UHFFFAOYSA-N
XLogP1.05
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethenyl-1-ethylpyrrole-2,5-diol
CID 91470205
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-diol
CID 90855816
3,4-Dimethyl-1-(trifluoromethyl)pyrrole-2,5-diol
CID 90883535
1-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,4-dimethylpyrrole-2,5-diol
CID 91287767
3-ethenyl-1-(114C)ethylpyrrole-2,5-diol
CID 90781057
3-(3-Hydroxyprop-1-enyl)-1,4-dimethylpyrrole-2,5-diol
CID 123657621
3,4-Dimethyl-1-propan-2-ylpyrrol-2-ol
CID 134891005
1,5-Dihydroxy-3,4-dimethyl-2-hydrogen-pyrrole
CID 171393951
3,4-dimethyl-1H-pyrrole-2,5-diol
CID 53631232
1,3-Dimethylpyrrole-2,5-diol
CID 53675327
(2,5-Dihydroxy-3,4-dimethylpyrrol-1-yl) acetate
CID 53764964
3-Ethenyl-1,4-dimethylpyrrole-2,5-diol
CID 53865610

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylpyrrole-2,5-diol?
The IUPAC name of 1,3,4-trimethylpyrrole-2,5-diol (CID 54321733) is 1,3,4-trimethylpyrrole-2,5-diol.
What is the SMILES notation for 1,3,4-trimethylpyrrole-2,5-diol?
The canonical SMILES for 1,3,4-trimethylpyrrole-2,5-diol is Cc1c(C)c(O)n(C)c1O.
What is the InChIKey of 1,3,4-trimethylpyrrole-2,5-diol?
The InChIKey is SSDGEGGMIOSNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(2)7(10)8(3)6(4)9/h9-10H,1-3H3.
What are the key properties of 1,3,4-trimethylpyrrole-2,5-diol?
1,3,4-trimethylpyrrole-2,5-diol has a molecular weight of 141.17 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 1,3,4-trimethylpyrrole-2,5-diol is sourced from PubChem (CID 54321733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).