1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one

C13H15BrN2O — CID 162765726

IUPAC1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
SMILESCCC(NC)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H15BrN2O/c1-3-11(15-2)13(17)10-7-16-12-6-8(14)4-5-9(10)12/h4-7,11,15-16H,3H2,1-2H3
InChIKeyFVHMARBLDWRDTL-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.11
Rot. Bonds4

About 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one

1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one (PubChem CID 162765726) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
PubChem CID162765726
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
SMILESCCC(NC)C(=O)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C13H15BrN2O/c1-3-11(15-2)13(17)10-7-16-12-6-8(14)4-5-9(10)12/h4-7,11,15-16H,3H2,1-2H3
InChIKeyFVHMARBLDWRDTL-UHFFFAOYSA-N
XLogP3.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
2,2-dibromo-1-(6-bromo-1H-indol-3-yl)ethanone
CID 135045023
1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 170210989
3-bromo-4-(6-bromo-1H-indol-3-yl)-4-oxobutanoic acid
CID 79786908
1-(5-bromo-1H-indol-3-yl)-2-(ethylamino)propan-1-one
CID 162765701
2-amino-1-(5-bromo-1H-indol-3-yl)butan-1-one
CID 162765729
1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
CID 82985397
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849
(6-bromo-1H-indol-3-yl)-(2-bromophenyl)methanone
CID 55194674
2-methyl-1-(6-nitro-1H-indol-3-yl)butan-1-one
CID 43308954
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one?
The IUPAC name of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one (CID 162765726) is 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one.
What is the SMILES notation for 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one?
The canonical SMILES for 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one is CCC(NC)C(=O)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one?
The InChIKey is FVHMARBLDWRDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-11(15-2)13(17)10-7-16-12-6-8(14)4-5-9(10)12/h4-7,11,15-16H,3H2,1-2H3.
What are the key properties of 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one?
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one has a molecular weight of 295.18 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one is sourced from PubChem (CID 162765726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).