3-(4-methoxyphenyl)-1-methylpyrrole

C12H13NO — CID 14892705

IUPAC3-(4-methoxyphenyl)-1-methylpyrrole
SMILESCOc1ccc(-c2ccn(C)c2)cc1
InChIInChI=1S/C12H13NO/c1-13-8-7-11(9-13)10-3-5-12(14-2)6-4-10/h3-9H,1-2H3
InChIKeyRCZFNTKQFCLMKE-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.70
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-methylpyrrole

3-(4-methoxyphenyl)-1-methylpyrrole (PubChem CID 14892705) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methylpyrrole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methylpyrrole
PubChem CID14892705
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-(4-methoxyphenyl)-1-methylpyrrole
SMILESCOc1ccc(-c2ccn(C)c2)cc1
InChIInChI=1S/C12H13NO/c1-13-8-7-11(9-13)10-3-5-12(14-2)6-4-10/h3-9H,1-2H3
InChIKeyRCZFNTKQFCLMKE-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 3-(4-methoxyphenyl)-1-methylpyrrole?
The IUPAC name of 3-(4-methoxyphenyl)-1-methylpyrrole (CID 14892705) is 3-(4-methoxyphenyl)-1-methylpyrrole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methylpyrrole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methylpyrrole is COc1ccc(-c2ccn(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methylpyrrole?
The InChIKey is RCZFNTKQFCLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-13-8-7-11(9-13)10-3-5-12(14-2)6-4-10/h3-9H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methylpyrrole?
3-(4-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 3-(4-methoxyphenyl)-1-methylpyrrole is sourced from PubChem (CID 14892705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).