1-(3,4-dimethoxyphenyl)pyrrole

C12H13NO2 — CID 1485786

IUPAC1-(3,4-dimethoxyphenyl)pyrrole
SMILESCOc1ccc(-n2cccc2)cc1OC
InChIInChI=1S/C12H13NO2/c1-14-11-6-5-10(9-12(11)15-2)13-7-3-4-8-13/h3-9H,1-2H3
InChIKeyASUZZDGBNHWAMT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)pyrrole

1-(3,4-dimethoxyphenyl)pyrrole (PubChem CID 1485786) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)pyrrole
PubChem CID1485786
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(3,4-dimethoxyphenyl)pyrrole
SMILESCOc1ccc(-n2cccc2)cc1OC
InChIInChI=1S/C12H13NO2/c1-14-11-6-5-10(9-12(11)15-2)13-7-3-4-8-13/h3-9H,1-2H3
InChIKeyASUZZDGBNHWAMT-UHFFFAOYSA-N
XLogP2.49
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)pyrrole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)pyrrole (CID 1485786) is 1-(3,4-dimethoxyphenyl)pyrrole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)pyrrole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)pyrrole is COc1ccc(-n2cccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)pyrrole?
The InChIKey is ASUZZDGBNHWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-11-6-5-10(9-12(11)15-2)13-7-3-4-8-13/h3-9H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)pyrrole?
1-(3,4-dimethoxyphenyl)pyrrole has a molecular weight of 203.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)pyrrole is sourced from PubChem (CID 1485786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).