2-(2-oxoindol-3-yl)acetic acid

C10H7NO3 — CID 11788737

IUPAC2-(2-oxoindol-3-yl)acetic acid
SMILESO=C(O)CC1=c2ccccc2=NC1=O
InChIInChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4H,5H2,(H,12,13)
InChIKeyOINWOHIZFCLCPY-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.53
Rot. Bonds2

About 2-(2-oxoindol-3-yl)acetic acid

2-(2-oxoindol-3-yl)acetic acid (PubChem CID 11788737) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-(2-oxoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxoindol-3-yl)acetic acid
PubChem CID11788737
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name2-(2-oxoindol-3-yl)acetic acid
SMILESO=C(O)CC1=c2ccccc2=NC1=O
InChIInChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4H,5H2,(H,12,13)
InChIKeyOINWOHIZFCLCPY-UHFFFAOYSA-N
XLogP-0.53
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoindol-3-yl)acetic acid?
The IUPAC name of 2-(2-oxoindol-3-yl)acetic acid (CID 11788737) is 2-(2-oxoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxoindol-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxoindol-3-yl)acetic acid is O=C(O)CC1=c2ccccc2=NC1=O.
What is the InChIKey of 2-(2-oxoindol-3-yl)acetic acid?
The InChIKey is OINWOHIZFCLCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(2-oxoindol-3-yl)acetic acid?
2-(2-oxoindol-3-yl)acetic acid has a molecular weight of 189.17 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoindol-3-yl)acetic acid is sourced from PubChem (CID 11788737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).