6-(1H-pyrrol-3-yl)-1H-indole

C12H10N2 — CID 67416274

IUPAC6-(1H-pyrrol-3-yl)-1H-indole
SMILESc1cc(-c2ccc3cc[nH]c3c2)c[nH]1
InChIInChI=1S/C12H10N2/c1-2-10(11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-8,13-14H
InChIKeyDGDQIFZWOIJEQB-UHFFFAOYSA-N
MW182.23 g/mol
LogP3.16
Rot. Bonds1

About 6-(1H-pyrrol-3-yl)-1H-indole

6-(1H-pyrrol-3-yl)-1H-indole (PubChem CID 67416274) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 6-(1H-pyrrol-3-yl)-1H-indole.

Molecular Properties

Compound Name6-(1H-pyrrol-3-yl)-1H-indole
PubChem CID67416274
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name6-(1H-pyrrol-3-yl)-1H-indole
SMILESc1cc(-c2ccc3cc[nH]c3c2)c[nH]1
InChIInChI=1S/C12H10N2/c1-2-10(11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-8,13-14H
InChIKeyDGDQIFZWOIJEQB-UHFFFAOYSA-N
XLogP3.16
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrol-3-yl)-1H-indole?
The IUPAC name of 6-(1H-pyrrol-3-yl)-1H-indole (CID 67416274) is 6-(1H-pyrrol-3-yl)-1H-indole.
What is the SMILES notation for 6-(1H-pyrrol-3-yl)-1H-indole?
The canonical SMILES for 6-(1H-pyrrol-3-yl)-1H-indole is c1cc(-c2ccc3cc[nH]c3c2)c[nH]1.
What is the InChIKey of 6-(1H-pyrrol-3-yl)-1H-indole?
The InChIKey is DGDQIFZWOIJEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-10(11-3-5-13-8-11)7-12-9(1)4-6-14-12/h1-8,13-14H.
What are the key properties of 6-(1H-pyrrol-3-yl)-1H-indole?
6-(1H-pyrrol-3-yl)-1H-indole has a molecular weight of 182.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-3-yl)-1H-indole is sourced from PubChem (CID 67416274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).