1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole

C18H16N4 — CID 67907259

IUPAC1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole
SMILESc1ccn(C(=C(n2cccc2)n2cccc2)n2cccc2)c1
InChIInChI=1S/C18H16N4/c1-2-10-19(9-1)17(20-11-3-4-12-20)18(21-13-5-6-14-21)22-15-7-8-16-22/h1-16H
InChIKeyJUXBSBRAXCDIKX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.36
Rot. Bonds4

About 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole

1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole (PubChem CID 67907259) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole.

Molecular Properties

Compound Name1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole
PubChem CID67907259
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole
SMILESc1ccn(C(=C(n2cccc2)n2cccc2)n2cccc2)c1
InChIInChI=1S/C18H16N4/c1-2-10-19(9-1)17(20-11-3-4-12-20)18(21-13-5-6-14-21)22-15-7-8-16-22/h1-16H
InChIKeyJUXBSBRAXCDIKX-UHFFFAOYSA-N
XLogP3.36
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole
CID 57393941
5-Pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole
CID 57390391
5-Pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole
CID 57393942
2,4,6-Tri(1h-pyrrol-1-yl)-1,3,5-triazine
CID 247333
1-(1H-Pyrrol-1-ylmethyl)-1H-pyrrole
CID 556811
1-[Tri(pyrrol-1-yl)methyl]pyrrole
CID 85787956
Bis[5-[dimethyl-(1-methylpyrrol-2-yl)silyl]-1-methylpyrrol-2-yl]-dimethylsilane
CID 10529186
N,N-bis[di(pyrrol-1-yl)phosphanyl]methanamine
CID 10784375
1-(pyrrolidin-1-ylmethyl)-1H-pyrrole
CID 13539236
Tetra(pyrrol-1-yl)-silan
CID 14908169
N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine
CID 22564190
Tris(1-methylpyrrol-2-yl)bismuthane
CID 85818335

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
The IUPAC name of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole (CID 67907259) is 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole.
What is the SMILES notation for 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
The canonical SMILES for 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole is c1ccn(C(=C(n2cccc2)n2cccc2)n2cccc2)c1.
What is the InChIKey of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
The InChIKey is JUXBSBRAXCDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-10-19(9-1)17(20-11-3-4-12-20)18(21-13-5-6-14-21)22-15-7-8-16-22/h1-16H.
What are the key properties of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole has a molecular weight of 288.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole is sourced from PubChem (CID 67907259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).