1-(6-bromoindol-1-yl)butan-2-one

C12H12BrNO — CID 62039344

IUPAC1-(6-bromoindol-1-yl)butan-2-one
SMILESCCC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO/c1-2-11(15)8-14-6-5-9-3-4-10(13)7-12(9)14/h3-7H,2,8H2,1H3
InChIKeyUMTOWDSSCWIWIE-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.38
Rot. Bonds3

About 1-(6-bromoindol-1-yl)butan-2-one

1-(6-bromoindol-1-yl)butan-2-one (PubChem CID 62039344) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(6-bromoindol-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(6-bromoindol-1-yl)butan-2-one
PubChem CID62039344
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-(6-bromoindol-1-yl)butan-2-one
SMILESCCC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO/c1-2-11(15)8-14-6-5-9-3-4-10(13)7-12(9)14/h3-7H,2,8H2,1H3
InChIKeyUMTOWDSSCWIWIE-UHFFFAOYSA-N
XLogP3.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
CID 107507742
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
3-(6-bromoindol-1-yl)-N-ethylpropanamide
CID 116621862
(2R)-1-(6-bromoindol-1-yl)-N,N-dimethylpropan-2-amine
CID 57060481
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoindol-1-yl)butan-2-one?
The IUPAC name of 1-(6-bromoindol-1-yl)butan-2-one (CID 62039344) is 1-(6-bromoindol-1-yl)butan-2-one.
What is the SMILES notation for 1-(6-bromoindol-1-yl)butan-2-one?
The canonical SMILES for 1-(6-bromoindol-1-yl)butan-2-one is CCC(=O)Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromoindol-1-yl)butan-2-one?
The InChIKey is UMTOWDSSCWIWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-2-11(15)8-14-6-5-9-3-4-10(13)7-12(9)14/h3-7H,2,8H2,1H3.
What are the key properties of 1-(6-bromoindol-1-yl)butan-2-one?
1-(6-bromoindol-1-yl)butan-2-one has a molecular weight of 266.14 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoindol-1-yl)butan-2-one is sourced from PubChem (CID 62039344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).