1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid

C14H15NO2 — CID 82618762

IUPAC1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3cc[nH]c3c2)CCCC1
InChIInChI=1S/C14H15NO2/c16-13(17)14(6-1-2-7-14)11-4-3-10-5-8-15-12(10)9-11/h3-5,8-9,15H,1-2,6-7H2,(H,16,17)
InChIKeyXZLMMAIAHAQILD-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.06
Rot. Bonds2

About 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid

1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid (PubChem CID 82618762) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
PubChem CID82618762
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3cc[nH]c3c2)CCCC1
InChIInChI=1S/C14H15NO2/c16-13(17)14(6-1-2-7-14)11-4-3-10-5-8-15-12(10)9-11/h3-5,8-9,15H,1-2,6-7H2,(H,16,17)
InChIKeyXZLMMAIAHAQILD-UHFFFAOYSA-N
XLogP3.06
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
CID 117435910
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117445308
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
CID 117404703
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-(2-methyl-1-benzofuran-6-yl)cyclohexane-1-carboxylic acid
CID 117399405
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117463774

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid (CID 82618762) is 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc3cc[nH]c3c2)CCCC1.
What is the InChIKey of 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid?
The InChIKey is XZLMMAIAHAQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-13(17)14(6-1-2-7-14)11-4-3-10-5-8-15-12(10)9-11/h3-5,8-9,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid?
1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82618762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).