3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid

C11H11NO3 — CID 14624055

IUPAC3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid
SMILESCC1(C)C(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO3/c1-11(2)7-4-3-6(9(13)14)5-8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKeyARPWLTXDPCHBLE-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.61
Rot. Bonds1

About 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid

3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid (PubChem CID 14624055) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid
PubChem CID14624055
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid
SMILESCC1(C)C(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H11NO3/c1-11(2)7-4-3-6(9(13)14)5-8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKeyARPWLTXDPCHBLE-UHFFFAOYSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid (CID 14624055) is 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid is CC1(C)C(=O)Nc2cc(C(=O)O)ccc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid?
The InChIKey is ARPWLTXDPCHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(2)7-4-3-6(9(13)14)5-8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid?
3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-1H-indole-6-carboxylic acid is sourced from PubChem (CID 14624055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).