1-(1H-indol-3-yl)hexan-3-one

C14H17NO — CID 166814803

IUPAC1-(1H-indol-3-yl)hexan-3-one
SMILESCCCC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-2-5-12(16)9-8-11-10-15-14-7-4-3-6-13(11)14/h3-4,6-7,10,15H,2,5,8-9H2,1H3
InChIKeyXUBXKIFKCXQWSO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.47
Rot. Bonds5

About 1-(1H-indol-3-yl)hexan-3-one

1-(1H-indol-3-yl)hexan-3-one (PubChem CID 166814803) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)hexan-3-one.

Molecular Properties

Compound Name1-(1H-indol-3-yl)hexan-3-one
PubChem CID166814803
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1H-indol-3-yl)hexan-3-one
SMILESCCCC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-2-5-12(16)9-8-11-10-15-14-7-4-3-6-13(11)14/h3-4,6-7,10,15H,2,5,8-9H2,1H3
InChIKeyXUBXKIFKCXQWSO-UHFFFAOYSA-N
XLogP3.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(1H-indol-3-yl)hexan-3-one
CID 58575746
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
3-heptyl-1H-indole
CID 15360907
4-(1H-indol-3-yl)butanamide
CID 588715
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)hexan-3-one?
The IUPAC name of 1-(1H-indol-3-yl)hexan-3-one (CID 166814803) is 1-(1H-indol-3-yl)hexan-3-one.
What is the SMILES notation for 1-(1H-indol-3-yl)hexan-3-one?
The canonical SMILES for 1-(1H-indol-3-yl)hexan-3-one is CCCC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)hexan-3-one?
The InChIKey is XUBXKIFKCXQWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-12(16)9-8-11-10-15-14-7-4-3-6-13(11)14/h3-4,6-7,10,15H,2,5,8-9H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)hexan-3-one?
1-(1H-indol-3-yl)hexan-3-one has a molecular weight of 215.30 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)hexan-3-one is sourced from PubChem (CID 166814803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).