1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid

C15H17NO3 — CID 117401849

IUPAC1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
SMILESCN1C(=O)Cc2cccc(C3(C(=O)O)CCCC3)c21
InChIInChI=1S/C15H17NO3/c1-16-12(17)9-10-5-4-6-11(13(10)16)15(14(18)19)7-2-3-8-15/h4-6H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyIXBKERNVCXWFNE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.10
Rot. Bonds2

About 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid

1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid (PubChem CID 117401849) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
PubChem CID117401849
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
SMILESCN1C(=O)Cc2cccc(C3(C(=O)O)CCCC3)c21
InChIInChI=1S/C15H17NO3/c1-16-12(17)9-10-5-4-6-11(13(10)16)15(14(18)19)7-2-3-8-15/h4-6H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyIXBKERNVCXWFNE-UHFFFAOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid (CID 117401849) is 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid is CN1C(=O)Cc2cccc(C3(C(=O)O)CCCC3)c21.
What is the InChIKey of 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid?
The InChIKey is IXBKERNVCXWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-12(17)9-10-5-4-6-11(13(10)16)15(14(18)19)7-2-3-8-15/h4-6H,2-3,7-9H2,1H3,(H,18,19).
What are the key properties of 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid?
1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117401849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).