6-(1H-indol-3-yl)hexan-3-one

C14H17NO — CID 58575746

IUPAC6-(1H-indol-3-yl)hexan-3-one
SMILESCCC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-2-12(16)7-5-6-11-10-15-14-9-4-3-8-13(11)14/h3-4,8-10,15H,2,5-7H2,1H3
InChIKeyICTCWXXQKVNEEO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.47
Rot. Bonds5

About 6-(1H-indol-3-yl)hexan-3-one

6-(1H-indol-3-yl)hexan-3-one (PubChem CID 58575746) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)hexan-3-one.

Molecular Properties

Compound Name6-(1H-indol-3-yl)hexan-3-one
PubChem CID58575746
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-(1H-indol-3-yl)hexan-3-one
SMILESCCC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO/c1-2-12(16)7-5-6-11-10-15-14-9-4-3-8-13(11)14/h3-4,8-10,15H,2,5-7H2,1H3
InChIKeyICTCWXXQKVNEEO-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

1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
4-(1H-indol-3-yl)butanamide
CID 588715
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(1H-indol-3-yl)-9-propan-2-ylsulfonylnonan-4-one
CID 58145050
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
3-heptyl-1H-indole
CID 15360907

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)hexan-3-one?
The IUPAC name of 6-(1H-indol-3-yl)hexan-3-one (CID 58575746) is 6-(1H-indol-3-yl)hexan-3-one.
What is the SMILES notation for 6-(1H-indol-3-yl)hexan-3-one?
The canonical SMILES for 6-(1H-indol-3-yl)hexan-3-one is CCC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-(1H-indol-3-yl)hexan-3-one?
The InChIKey is ICTCWXXQKVNEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-12(16)7-5-6-11-10-15-14-9-4-3-8-13(11)14/h3-4,8-10,15H,2,5-7H2,1H3.
What are the key properties of 6-(1H-indol-3-yl)hexan-3-one?
6-(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 6-(1H-indol-3-yl)hexan-3-one is sourced from PubChem (CID 58575746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).