2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole

C15H17NO2 — CID 131968427

IUPAC2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole
SMILESCOc1ccc(OC)c(/C=C/c2cccn2C)c1
InChIInChI=1S/C15H17NO2/c1-16-10-4-5-13(16)7-6-12-11-14(17-2)8-9-15(12)18-3/h4-11H,1-3H3/b7-6+
InChIKeyVBAFEPSGKLNOCY-VOTSOKGWSA-N
MW243.31 g/mol
LogP3.21
Rot. Bonds4

About 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole

2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole (PubChem CID 131968427) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole.

Molecular Properties

Compound Name2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole
PubChem CID131968427
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole
SMILESCOc1ccc(OC)c(/C=C/c2cccn2C)c1
InChIInChI=1S/C15H17NO2/c1-16-10-4-5-13(16)7-6-12-11-14(17-2)8-9-15(12)18-3/h4-11H,1-3H3/b7-6+
InChIKeyVBAFEPSGKLNOCY-VOTSOKGWSA-N
XLogP3.21
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole?
The IUPAC name of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole (CID 131968427) is 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole.
What is the SMILES notation for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole?
The canonical SMILES for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole is COc1ccc(OC)c(/C=C/c2cccn2C)c1.
What is the InChIKey of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole?
The InChIKey is VBAFEPSGKLNOCY-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-10-4-5-13(16)7-6-12-11-14(17-2)8-9-15(12)18-3/h4-11H,1-3H3/b7-6+.
What are the key properties of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole?
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole has a molecular weight of 243.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyrrole is sourced from PubChem (CID 131968427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).