3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole

C13H13NO — CID 67879730

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
SMILESCOc1ccc(/C=C/c2cc[nH]c2)cc1
InChIInChI=1S/C13H13NO/c1-15-13-6-4-11(5-7-13)2-3-12-8-9-14-10-12/h2-10,14H,1H3/b3-2+
InChIKeyNGGDWCCGCCBTAM-NSCUHMNNSA-N
MW199.25 g/mol
LogP3.19
Rot. Bonds3

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole

3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole (PubChem CID 67879730) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
PubChem CID67879730
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
SMILESCOc1ccc(/C=C/c2cc[nH]c2)cc1
InChIInChI=1S/C13H13NO/c1-15-13-6-4-11(5-7-13)2-3-12-8-9-14-10-12/h2-10,14H,1H3/b3-2+
InChIKeyNGGDWCCGCCBTAM-NSCUHMNNSA-N
XLogP3.19
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole
CID 67879680
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
CID 135078844
CID 135078844
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
CID 67879707
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole (CID 67879730) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole is COc1ccc(/C=C/c2cc[nH]c2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
The InChIKey is NGGDWCCGCCBTAM-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H13NO/c1-15-13-6-4-11(5-7-13)2-3-12-8-9-14-10-12/h2-10,14H,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole?
3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole has a molecular weight of 199.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 67879730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).