3,4-diethyl-1-methoxypyrrole-2,5-diol

C9H15NO3 — CID 90755093

IUPAC3,4-diethyl-1-methoxypyrrole-2,5-diol
SMILESCCc1c(CC)c(O)n(OC)c1O
InChIInChI=1S/C9H15NO3/c1-4-6-7(5-2)9(12)10(13-3)8(6)11/h11-12H,4-5H2,1-3H3
InChIKeyQFJCOVPEXNSERP-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.08
Rot. Bonds3

About 3,4-diethyl-1-methoxypyrrole-2,5-diol

3,4-diethyl-1-methoxypyrrole-2,5-diol (PubChem CID 90755093) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3,4-diethyl-1-methoxypyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-diethyl-1-methoxypyrrole-2,5-diol
PubChem CID90755093
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3,4-diethyl-1-methoxypyrrole-2,5-diol
SMILESCCc1c(CC)c(O)n(OC)c1O
InChIInChI=1S/C9H15NO3/c1-4-6-7(5-2)9(12)10(13-3)8(6)11/h11-12H,4-5H2,1-3H3
InChIKeyQFJCOVPEXNSERP-UHFFFAOYSA-N
XLogP1.08
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dihydro-2H-isoindole-1,3-diol
CID 53631027
2-(Trichloromethylsulfanyl)-4,7-dihydroisoindole-1,3-diol
CID 54508359
3-ethenyl-4-ethyl-1H-pyrrole-2,5-diol
CID 54515667
3-ethyl-4-methyl-1H-pyrrole-2,5-diol
CID 53656599
3,4-diethyl-1H-pyrrole-2,5-diol
CID 53684610
2-(Trichloromethyl)-4,7-dihydroisoindole-1,3-diol
CID 53711085
2-Hydroxy-4,7-dimethylideneisoindole-1,3-diol
CID 53738455
2-Ethoxy-4,5-dihydroisoindole-1,3-diol
CID 53745601
2-Ethenoxy-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53767692
2-Hydroxy-4-methylidene-7-propan-2-ylideneisoindole-1,3-diol
CID 53788951
5-methyl-4,7-dihydro-2H-isoindole-1,3-diol
CID 53803799
2-Ethenoxy-4,5-dihydroisoindole-1,3-diol
CID 53805170

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-methoxypyrrole-2,5-diol?
The IUPAC name of 3,4-diethyl-1-methoxypyrrole-2,5-diol (CID 90755093) is 3,4-diethyl-1-methoxypyrrole-2,5-diol.
What is the SMILES notation for 3,4-diethyl-1-methoxypyrrole-2,5-diol?
The canonical SMILES for 3,4-diethyl-1-methoxypyrrole-2,5-diol is CCc1c(CC)c(O)n(OC)c1O.
What is the InChIKey of 3,4-diethyl-1-methoxypyrrole-2,5-diol?
The InChIKey is QFJCOVPEXNSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-6-7(5-2)9(12)10(13-3)8(6)11/h11-12H,4-5H2,1-3H3.
What are the key properties of 3,4-diethyl-1-methoxypyrrole-2,5-diol?
3,4-diethyl-1-methoxypyrrole-2,5-diol has a molecular weight of 185.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-methoxypyrrole-2,5-diol is sourced from PubChem (CID 90755093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).