2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole

C14H15NO — CID 3800099

IUPAC2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole
SMILESCOC(=Cc1cccn1C)c1ccccc1
InChIInChI=1S/C14H15NO/c1-15-10-6-9-13(15)11-14(16-2)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyYPQYOWODBFYAMT-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole

2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole (PubChem CID 3800099) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole
PubChem CID3800099
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole
SMILESCOC(=Cc1cccn1C)c1ccccc1
InChIInChI=1S/C14H15NO/c1-15-10-6-9-13(15)11-14(16-2)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyYPQYOWODBFYAMT-UHFFFAOYSA-N
XLogP3.17
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole?
The IUPAC name of 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole (CID 3800099) is 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole.
What is the SMILES notation for 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole?
The canonical SMILES for 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole is COC(=Cc1cccn1C)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole?
The InChIKey is YPQYOWODBFYAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-10-6-9-13(15)11-14(16-2)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole?
2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole has a molecular weight of 213.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-phenylethenyl)-1-methylpyrrole is sourced from PubChem (CID 3800099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).