2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

C15H13BrN2O — CID 113292195

IUPAC2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)Cn1ccc2c(Br)cccc21
InChIInChI=1S/C15H13BrN2O/c1-17-8-3-6-14(17)15(19)10-18-9-7-11-12(16)4-2-5-13(11)18/h2-9H,10H2,1H3
InChIKeyMBPLFYIXJKLAPW-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 113292195) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID113292195
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)Cn1ccc2c(Br)cccc21
InChIInChI=1S/C15H13BrN2O/c1-17-8-3-6-14(17)15(19)10-18-9-7-11-12(16)4-2-5-13(11)18/h2-9H,10H2,1H3
InChIKeyMBPLFYIXJKLAPW-UHFFFAOYSA-N
XLogP3.63
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (CID 113292195) is 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)Cn1ccc2c(Br)cccc21.
What is the InChIKey of 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is MBPLFYIXJKLAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-17-8-3-6-14(17)15(19)10-18-9-7-11-12(16)4-2-5-13(11)18/h2-9H,10H2,1H3.
What are the key properties of 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 317.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 113292195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).