6-(1H-indol-3-yl)hexanoic acid

C14H17NO2 — CID 4672789

IUPAC6-(1H-indol-3-yl)hexanoic acid
SMILESO=C(O)CCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17)
InChIKeyMDAWQYLSKUSBQG-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.36
Rot. Bonds6

About 6-(1H-indol-3-yl)hexanoic acid

6-(1H-indol-3-yl)hexanoic acid (PubChem CID 4672789) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-(1H-indol-3-yl)hexanoic acid
PubChem CID4672789
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name6-(1H-indol-3-yl)hexanoic acid
SMILESO=C(O)CCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17)
InChIKeyMDAWQYLSKUSBQG-UHFFFAOYSA-N
XLogP3.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)hexanoic acid?
The IUPAC name of 6-(1H-indol-3-yl)hexanoic acid (CID 4672789) is 6-(1H-indol-3-yl)hexanoic acid.
What is the SMILES notation for 6-(1H-indol-3-yl)hexanoic acid?
The canonical SMILES for 6-(1H-indol-3-yl)hexanoic acid is O=C(O)CCCCCc1c[nH]c2ccccc12.
What is the InChIKey of 6-(1H-indol-3-yl)hexanoic acid?
The InChIKey is MDAWQYLSKUSBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17).
What are the key properties of 6-(1H-indol-3-yl)hexanoic acid?
6-(1H-indol-3-yl)hexanoic acid has a molecular weight of 231.30 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)hexanoic acid is sourced from PubChem (CID 4672789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).