2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole

C14H18N2 — CID 146018033

IUPAC2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole
SMILESCc1ccc(C=Cc2ccc(C)n2C)n1C
InChIInChI=1S/C14H18N2/c1-11-5-7-13(15(11)3)9-10-14-8-6-12(2)16(14)4/h5-10H,1-4H3
InChIKeyBAAPASNZNBIFIM-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.15
Rot. Bonds2

About 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole

2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole (PubChem CID 146018033) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole.

Molecular Properties

Compound Name2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole
PubChem CID146018033
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole
SMILESCc1ccc(C=Cc2ccc(C)n2C)n1C
InChIInChI=1S/C14H18N2/c1-11-5-7-13(15(11)3)9-10-14-8-6-12(2)16(14)4/h5-10H,1-4H3
InChIKeyBAAPASNZNBIFIM-UHFFFAOYSA-N
XLogP3.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole?
The IUPAC name of 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole (CID 146018033) is 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole.
What is the SMILES notation for 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole?
The canonical SMILES for 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole is Cc1ccc(C=Cc2ccc(C)n2C)n1C.
What is the InChIKey of 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole?
The InChIKey is BAAPASNZNBIFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-7-13(15(11)3)9-10-14-8-6-12(2)16(14)4/h5-10H,1-4H3.
What are the key properties of 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole?
2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole has a molecular weight of 214.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,5-dimethylpyrrol-2-yl)ethenyl]-1,5-dimethylpyrrole is sourced from PubChem (CID 146018033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).