1-(2,5-dimethylpyrrol-1-yl)indole

C14H14N2 — CID 54014212

IUPAC1-(2,5-dimethylpyrrol-1-yl)indole
SMILESCc1ccc(C)n1-n1ccc2ccccc21
InChIInChI=1S/C14H14N2/c1-11-7-8-12(2)16(11)15-10-9-13-5-3-4-6-14(13)15/h3-10H,1-2H3
InChIKeyKUMLEEJEXJTOAB-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.37
Rot. Bonds1

About 1-(2,5-dimethylpyrrol-1-yl)indole

1-(2,5-dimethylpyrrol-1-yl)indole (PubChem CID 54014212) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrrol-1-yl)indole.

Molecular Properties

Compound Name1-(2,5-dimethylpyrrol-1-yl)indole
PubChem CID54014212
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-(2,5-dimethylpyrrol-1-yl)indole
SMILESCc1ccc(C)n1-n1ccc2ccccc21
InChIInChI=1S/C14H14N2/c1-11-7-8-12(2)16(11)15-10-9-13-5-3-4-6-14(13)15/h3-10H,1-2H3
InChIKeyKUMLEEJEXJTOAB-UHFFFAOYSA-N
XLogP3.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrrol-1-yl)indole?
The IUPAC name of 1-(2,5-dimethylpyrrol-1-yl)indole (CID 54014212) is 1-(2,5-dimethylpyrrol-1-yl)indole.
What is the SMILES notation for 1-(2,5-dimethylpyrrol-1-yl)indole?
The canonical SMILES for 1-(2,5-dimethylpyrrol-1-yl)indole is Cc1ccc(C)n1-n1ccc2ccccc21.
What is the InChIKey of 1-(2,5-dimethylpyrrol-1-yl)indole?
The InChIKey is KUMLEEJEXJTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-11-7-8-12(2)16(11)15-10-9-13-5-3-4-6-14(13)15/h3-10H,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrrol-1-yl)indole?
1-(2,5-dimethylpyrrol-1-yl)indole has a molecular weight of 210.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrrol-1-yl)indole is sourced from PubChem (CID 54014212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).