1-(6-bromoindol-1-yl)-3-methoxypropan-2-one

C12H12BrNO2 — CID 107507742

IUPAC1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO2/c1-16-8-11(15)7-14-5-4-9-2-3-10(13)6-12(9)14/h2-6H,7-8H2,1H3
InChIKeyMKNVTAXDOCSXRV-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.62
Rot. Bonds4

About 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one

1-(6-bromoindol-1-yl)-3-methoxypropan-2-one (PubChem CID 107507742) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
PubChem CID107507742
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
SMILESCOCC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO2/c1-16-8-11(15)7-14-5-4-9-2-3-10(13)6-12(9)14/h2-6H,7-8H2,1H3
InChIKeyMKNVTAXDOCSXRV-UHFFFAOYSA-N
XLogP2.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
1-methoxy-3-(5-methylindol-1-yl)propan-2-one
CID 107507773
1-(6-bromoindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 62045340
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
4-(6-bromoindol-1-yl)butan-1-ol
CID 116621821
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 150206903
3-(6-bromoindol-1-yl)-N-ethylpropanamide
CID 116621862
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
6-bromo-1-(2-methylsulfonylethyl)indole
CID 116621937

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one?
The IUPAC name of 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one (CID 107507742) is 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one?
The canonical SMILES for 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one is COCC(=O)Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one?
The InChIKey is MKNVTAXDOCSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-16-8-11(15)7-14-5-4-9-2-3-10(13)6-12(9)14/h2-6H,7-8H2,1H3.
What are the key properties of 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one?
1-(6-bromoindol-1-yl)-3-methoxypropan-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoindol-1-yl)-3-methoxypropan-2-one is sourced from PubChem (CID 107507742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).