1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid

C14H15NO2 — CID 96802129

IUPAC1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
SMILESCn1ccc2cc(C3(C(=O)O)CCC3)ccc21
InChIInChI=1S/C14H15NO2/c1-15-8-5-10-9-11(3-4-12(10)15)14(13(16)17)6-2-7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKeyABYGBNJPTGDOCX-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds2

About 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid

1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 96802129) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
PubChem CID96802129
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
SMILESCn1ccc2cc(C3(C(=O)O)CCC3)ccc21
InChIInChI=1S/C14H15NO2/c1-15-8-5-10-9-11(3-4-12(10)15)14(13(16)17)6-2-7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)
InChIKeyABYGBNJPTGDOCX-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid (CID 96802129) is 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid is Cn1ccc2cc(C3(C(=O)O)CCC3)ccc21.
What is the InChIKey of 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ABYGBNJPTGDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-8-5-10-9-11(3-4-12(10)15)14(13(16)17)6-2-7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid?
1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 96802129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).