4-(7-methyl-1H-indol-3-yl)butan-2-one

C13H15NO — CID 28806455

IUPAC4-(7-methyl-1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C13H15NO/c1-9-4-3-5-12-11(7-6-10(2)15)8-14-13(9)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyZCZKGJGBBKMYHV-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.00
Rot. Bonds3

About 4-(7-methyl-1H-indol-3-yl)butan-2-one

4-(7-methyl-1H-indol-3-yl)butan-2-one (PubChem CID 28806455) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(7-methyl-1H-indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(7-methyl-1H-indol-3-yl)butan-2-one
PubChem CID28806455
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(7-methyl-1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C13H15NO/c1-9-4-3-5-12-11(7-6-10(2)15)8-14-13(9)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyZCZKGJGBBKMYHV-UHFFFAOYSA-N
XLogP3.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119200885
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 119189819
N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111487131
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167939

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-1H-indol-3-yl)butan-2-one?
The IUPAC name of 4-(7-methyl-1H-indol-3-yl)butan-2-one (CID 28806455) is 4-(7-methyl-1H-indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(7-methyl-1H-indol-3-yl)butan-2-one?
The canonical SMILES for 4-(7-methyl-1H-indol-3-yl)butan-2-one is CC(=O)CCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 4-(7-methyl-1H-indol-3-yl)butan-2-one?
The InChIKey is ZCZKGJGBBKMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-4-3-5-12-11(7-6-10(2)15)8-14-13(9)12/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 4-(7-methyl-1H-indol-3-yl)butan-2-one?
4-(7-methyl-1H-indol-3-yl)butan-2-one has a molecular weight of 201.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-1H-indol-3-yl)butan-2-one is sourced from PubChem (CID 28806455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).