2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C15H13BrN2O — CID 62024127

IUPAC2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H13BrN2O/c1-17-6-4-12(9-17)15(19)10-18-7-5-11-8-13(16)2-3-14(11)18/h2-9H,10H2,1H3
InChIKeyMPSVMISFPUWOON-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.63
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 62024127) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID62024127
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C15H13BrN2O/c1-17-6-4-12(9-17)15(19)10-18-7-5-11-8-13(16)2-3-14(11)18/h2-9H,10H2,1H3
InChIKeyMPSVMISFPUWOON-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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Related Compounds

2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62023736
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
1-[2-(5-bromoindol-1-yl)acetyl]piperidin-4-one
CID 62025773
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
CID 62269393

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 62024127) is 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is MPSVMISFPUWOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-17-6-4-12(9-17)15(19)10-18-7-5-11-8-13(16)2-3-14(11)18/h2-9H,10H2,1H3.
What are the key properties of 2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-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-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62024127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).