2-(2-methoxyphenyl)-1-methylpyrrole

C12H13NO — CID 124706207

IUPAC2-(2-methoxyphenyl)-1-methylpyrrole
SMILESCOc1ccccc1-c1cccn1C
InChIInChI=1S/C12H13NO/c1-13-9-5-7-11(13)10-6-3-4-8-12(10)14-2/h3-9H,1-2H3
InChIKeyFYANWOVAMDHKFV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-methoxyphenyl)-1-methylpyrrole

2-(2-methoxyphenyl)-1-methylpyrrole (PubChem CID 124706207) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-methylpyrrole
PubChem CID124706207
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2-methoxyphenyl)-1-methylpyrrole
SMILESCOc1ccccc1-c1cccn1C
InChIInChI=1S/C12H13NO/c1-13-9-5-7-11(13)10-6-3-4-8-12(10)14-2/h3-9H,1-2H3
InChIKeyFYANWOVAMDHKFV-UHFFFAOYSA-N
XLogP2.70
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-methylpyrrole?
The IUPAC name of 2-(2-methoxyphenyl)-1-methylpyrrole (CID 124706207) is 2-(2-methoxyphenyl)-1-methylpyrrole.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-methylpyrrole?
The canonical SMILES for 2-(2-methoxyphenyl)-1-methylpyrrole is COc1ccccc1-c1cccn1C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-methylpyrrole?
The InChIKey is FYANWOVAMDHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-13-9-5-7-11(13)10-6-3-4-8-12(10)14-2/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-methylpyrrole?
2-(2-methoxyphenyl)-1-methylpyrrole has a molecular weight of 187.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-methylpyrrole is sourced from PubChem (CID 124706207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).