3-pyrrol-1-ylindol-3-amine

C12H11N3 — CID 174405091

IUPAC3-pyrrol-1-ylindol-3-amine
SMILESNC1(n2cccc2)C=Nc2ccccc21
InChIInChI=1S/C12H11N3/c13-12(15-7-3-4-8-15)9-14-11-6-2-1-5-10(11)12/h1-9H,13H2
InChIKeyHQHIUSYCOYORCO-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.86
Rot. Bonds1

About 3-pyrrol-1-ylindol-3-amine

3-pyrrol-1-ylindol-3-amine (PubChem CID 174405091) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-pyrrol-1-ylindol-3-amine.

Molecular Properties

Compound Name3-pyrrol-1-ylindol-3-amine
PubChem CID174405091
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name3-pyrrol-1-ylindol-3-amine
SMILESNC1(n2cccc2)C=Nc2ccccc21
InChIInChI=1S/C12H11N3/c13-12(15-7-3-4-8-15)9-14-11-6-2-1-5-10(11)12/h1-9H,13H2
InChIKeyHQHIUSYCOYORCO-UHFFFAOYSA-N
XLogP1.86
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-ylindol-3-amine?
The IUPAC name of 3-pyrrol-1-ylindol-3-amine (CID 174405091) is 3-pyrrol-1-ylindol-3-amine.
What is the SMILES notation for 3-pyrrol-1-ylindol-3-amine?
The canonical SMILES for 3-pyrrol-1-ylindol-3-amine is NC1(n2cccc2)C=Nc2ccccc21.
What is the InChIKey of 3-pyrrol-1-ylindol-3-amine?
The InChIKey is HQHIUSYCOYORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c13-12(15-7-3-4-8-15)9-14-11-6-2-1-5-10(11)12/h1-9H,13H2.
What are the key properties of 3-pyrrol-1-ylindol-3-amine?
3-pyrrol-1-ylindol-3-amine has a molecular weight of 197.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylindol-3-amine is sourced from PubChem (CID 174405091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).