1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone

C15H15N3O — CID 112526583

IUPAC1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(CC(=O)n2ccc3cccc(N)c32)c[nH]1
InChIInChI=1S/C15H15N3O/c1-10-7-11(9-17-10)8-14(19)18-6-5-12-3-2-4-13(16)15(12)18/h2-7,9,17H,8,16H2,1H3
InChIKeyPXIJCLFQBNLUSK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.74
Rot. Bonds2

About 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone

1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone (PubChem CID 112526583) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
PubChem CID112526583
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(CC(=O)n2ccc3cccc(N)c32)c[nH]1
InChIInChI=1S/C15H15N3O/c1-10-7-11(9-17-10)8-14(19)18-6-5-12-3-2-4-13(16)15(12)18/h2-7,9,17H,8,16H2,1H3
InChIKeyPXIJCLFQBNLUSK-UHFFFAOYSA-N
XLogP2.74
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone (CID 112526583) is 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone is Cc1cc(CC(=O)n2ccc3cccc(N)c32)c[nH]1.
What is the InChIKey of 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is PXIJCLFQBNLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-11(9-17-10)8-14(19)18-6-5-12-3-2-4-13(16)15(12)18/h2-7,9,17H,8,16H2,1H3.
What are the key properties of 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone?
1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 253.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoindol-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 112526583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).