1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one

C16H20BrNO — CID 82985397

IUPAC1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrNO/c1-3-5-11(6-4-2)16(19)14-10-18-15-8-7-12(17)9-13(14)15/h7-11,18H,3-6H2,1-2H3
InChIKeyZPTYJPDCNYLOPB-UHFFFAOYSA-N
MW322.25 g/mol
LogP5.33
Rot. Bonds6

About 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one

1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one (PubChem CID 82985397) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
PubChem CID82985397
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrNO/c1-3-5-11(6-4-2)16(19)14-10-18-15-8-7-12(17)9-13(14)15/h7-11,18H,3-6H2,1-2H3
InChIKeyZPTYJPDCNYLOPB-UHFFFAOYSA-N
XLogP5.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.25
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
5-bromo-N-methyl-1H-indole-3-carboxamide
CID 142746507
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
1-(5-bromo-1H-indol-3-yl)-2-(methylamino)ethanone;ethane
CID 162765516
2-ethyl-1-(5-methoxy-1H-indol-3-yl)hexan-1-one
CID 43162108
1-(5-bromo-1H-indol-3-yl)prop-2-en-1-one
CID 103522496
5-(5-bromo-1H-indol-3-yl)-5-oxopentanoic acid
CID 43329853
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
(5-bromo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methanone
CID 43340394

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one (CID 82985397) is 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one?
The InChIKey is ZPTYJPDCNYLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-5-11(6-4-2)16(19)14-10-18-15-8-7-12(17)9-13(14)15/h7-11,18H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one?
1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one has a molecular weight of 322.25 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-2-propylpentan-1-one is sourced from PubChem (CID 82985397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).