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

C13H13N — CID 67879680

IUPAC3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole
SMILESCc1ccc(C=Cc2cc[nH]c2)cc1
InChIInChI=1S/C13H13N/c1-11-2-4-12(5-3-11)6-7-13-8-9-14-10-13/h2-10,14H,1H3
InChIKeyPNBDOJYCXXELIU-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.49
Rot. Bonds2

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

3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole (PubChem CID 67879680) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole
PubChem CID67879680
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole
SMILESCc1ccc(C=Cc2cc[nH]c2)cc1
InChIInChI=1S/C13H13N/c1-11-2-4-12(5-3-11)6-7-13-8-9-14-10-13/h2-10,14H,1H3
InChIKeyPNBDOJYCXXELIU-UHFFFAOYSA-N
XLogP3.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 67879730
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
CID 67879707
2-[2-(4-methylphenyl)ethenyl]-1H-imidazole
CID 68963797
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
(E)-3-(4-methylphenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385593
methanamine;1H-pyrrole-3-carbaldehyde
CID 174599153
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole?
The IUPAC name of 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole (CID 67879680) is 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole?
The canonical SMILES for 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole is Cc1ccc(C=Cc2cc[nH]c2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole?
The InChIKey is PNBDOJYCXXELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-2-4-12(5-3-11)6-7-13-8-9-14-10-13/h2-10,14H,1H3.
What are the key properties of 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole?
3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole has a molecular weight of 183.25 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 67879680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).