2-(2,3-dimethoxyphenyl)-1H-pyrrole

C12H13NO2 — CID 13154139

IUPAC2-(2,3-dimethoxyphenyl)-1H-pyrrole
SMILESCOc1cccc(-c2ccc[nH]2)c1OC
InChIInChI=1S/C12H13NO2/c1-14-11-7-3-5-9(12(11)15-2)10-6-4-8-13-10/h3-8,13H,1-2H3
InChIKeyZEMVYMDHTRGXLX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-1H-pyrrole

2-(2,3-dimethoxyphenyl)-1H-pyrrole (PubChem CID 13154139) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-1H-pyrrole
PubChem CID13154139
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2,3-dimethoxyphenyl)-1H-pyrrole
SMILESCOc1cccc(-c2ccc[nH]2)c1OC
InChIInChI=1S/C12H13NO2/c1-14-11-7-3-5-9(12(11)15-2)10-6-4-8-13-10/h3-8,13H,1-2H3
InChIKeyZEMVYMDHTRGXLX-UHFFFAOYSA-N
XLogP2.70
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-1H-pyrrole (CID 13154139) is 2-(2,3-dimethoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-1H-pyrrole is COc1cccc(-c2ccc[nH]2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-1H-pyrrole?
The InChIKey is ZEMVYMDHTRGXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-11-7-3-5-9(12(11)15-2)10-6-4-8-13-10/h3-8,13H,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-1H-pyrrole?
2-(2,3-dimethoxyphenyl)-1H-pyrrole has a molecular weight of 203.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 13154139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).