2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid

C12H11NO3 — CID 70813626

IUPAC2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid
SMILESCc1cc(C)c2c(c1)=C(CC(=O)O)C(=O)N=2
InChIInChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)9(5-10(14)15)12(16)13-11/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyBLTPUYRFYIHVAD-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.09
Rot. Bonds2

About 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid

2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid (PubChem CID 70813626) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid
PubChem CID70813626
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid
SMILESCc1cc(C)c2c(c1)=C(CC(=O)O)C(=O)N=2
InChIInChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)9(5-10(14)15)12(16)13-11/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyBLTPUYRFYIHVAD-UHFFFAOYSA-N
XLogP0.09
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid (CID 70813626) is 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid is Cc1cc(C)c2c(c1)=C(CC(=O)O)C(=O)N=2.
What is the InChIKey of 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid?
The InChIKey is BLTPUYRFYIHVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-6-3-7(2)11-8(4-6)9(5-10(14)15)12(16)13-11/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid?
2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid has a molecular weight of 217.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxoindol-3-yl)acetic acid is sourced from PubChem (CID 70813626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).