6-(3-cyanoindol-1-yl)hexanoic acid

C15H16N2O2 — CID 71567711

IUPAC6-(3-cyanoindol-1-yl)hexanoic acid
SMILESN#Cc1cn(CCCCCC(=O)O)c2ccccc12
InChIInChI=1S/C15H16N2O2/c16-10-12-11-17(9-5-1-2-8-15(18)19)14-7-4-3-6-13(12)14/h3-4,6-7,11H,1-2,5,8-9H2,(H,18,19)
InChIKeyLQVVXWQTKPHYHA-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.16
Rot. Bonds6

About 6-(3-cyanoindol-1-yl)hexanoic acid

6-(3-cyanoindol-1-yl)hexanoic acid (PubChem CID 71567711) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(3-cyanoindol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(3-cyanoindol-1-yl)hexanoic acid
PubChem CID71567711
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-(3-cyanoindol-1-yl)hexanoic acid
SMILESN#Cc1cn(CCCCCC(=O)O)c2ccccc12
InChIInChI=1S/C15H16N2O2/c16-10-12-11-17(9-5-1-2-8-15(18)19)14-7-4-3-6-13(12)14/h3-4,6-7,11H,1-2,5,8-9H2,(H,18,19)
InChIKeyLQVVXWQTKPHYHA-UHFFFAOYSA-N
XLogP3.16
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutyl)indole-3-carbonitrile
CID 10331529
3-[1-(3-cyanopropyl)indol-3-yl]propanoic acid
CID 28600015
4-[1-(3-carboxypropyl)indol-3-yl]-4-oxobutanoic acid
CID 22400520
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
2-[1-(3-cyanopropyl)indol-3-yl]acetic acid
CID 28599811
5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
CID 86268508
N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide
CID 46858716
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
5-[3-(4-methylnaphthalene-1-carbonyl)indol-1-yl]pentanoic acid
CID 91864527
[1-(5-fluoropentyl)indol-3-yl]methylidyneoxidanium
CID 177415269
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoindol-1-yl)hexanoic acid?
The IUPAC name of 6-(3-cyanoindol-1-yl)hexanoic acid (CID 71567711) is 6-(3-cyanoindol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(3-cyanoindol-1-yl)hexanoic acid?
The canonical SMILES for 6-(3-cyanoindol-1-yl)hexanoic acid is N#Cc1cn(CCCCCC(=O)O)c2ccccc12.
What is the InChIKey of 6-(3-cyanoindol-1-yl)hexanoic acid?
The InChIKey is LQVVXWQTKPHYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-10-12-11-17(9-5-1-2-8-15(18)19)14-7-4-3-6-13(12)14/h3-4,6-7,11H,1-2,5,8-9H2,(H,18,19).
What are the key properties of 6-(3-cyanoindol-1-yl)hexanoic acid?
6-(3-cyanoindol-1-yl)hexanoic acid has a molecular weight of 256.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoindol-1-yl)hexanoic acid is sourced from PubChem (CID 71567711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).