1-nonan-3-ylindole-3-carboxylic acid;hydrochloride

C18H26ClNO2 — CID 90033289

IUPAC1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
SMILESCCCCCCC(CC)n1cc(C(=O)O)c2ccccc21.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-3-5-6-7-10-14(4-2)19-13-16(18(20)21)15-11-8-9-12-17(15)19;/h8-9,11-14H,3-7,10H2,1-2H3,(H,20,21);1H
InChIKeyHOFOSEZVFVQEIT-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.68
Rot. Bonds8

About 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride

1-nonan-3-ylindole-3-carboxylic acid;hydrochloride (PubChem CID 90033289) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
PubChem CID90033289
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name1-nonan-3-ylindole-3-carboxylic acid;hydrochloride
SMILESCCCCCCC(CC)n1cc(C(=O)O)c2ccccc21.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-3-5-6-7-10-14(4-2)19-13-16(18(20)21)15-11-8-9-12-17(15)19;/h8-9,11-14H,3-7,10H2,1-2H3,(H,20,21);1H
InChIKeyHOFOSEZVFVQEIT-UHFFFAOYSA-N
XLogP5.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.86
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride (CID 90033289) is 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride is CCCCCCC(CC)n1cc(C(=O)O)c2ccccc21.Cl.
What is the InChIKey of 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride?
The InChIKey is HOFOSEZVFVQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c1-3-5-6-7-10-14(4-2)19-13-16(18(20)21)15-11-8-9-12-17(15)19;/h8-9,11-14H,3-7,10H2,1-2H3,(H,20,21);1H.
What are the key properties of 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride?
1-nonan-3-ylindole-3-carboxylic acid;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-3-ylindole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 90033289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).