2-(3-oxo-1H-isoindol-2-yl)acetic acid

C10H9NO3 — CID 771115

IUPAC2-(3-oxo-1H-isoindol-2-yl)acetic acid
SMILESO=C(O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)
InChIKeyFPVHLXPCDHFPPN-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.73
Rot. Bonds2

About 2-(3-oxo-1H-isoindol-2-yl)acetic acid

2-(3-oxo-1H-isoindol-2-yl)acetic acid (PubChem CID 771115) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)acetic acid
PubChem CID771115
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)acetic acid
SMILESO=C(O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13)
InChIKeyFPVHLXPCDHFPPN-UHFFFAOYSA-N
XLogP0.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)acetic acid (CID 771115) is 2-(3-oxo-1H-isoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)acetic acid is O=C(O)CN1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)acetic acid?
The InChIKey is FPVHLXPCDHFPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)acetic acid?
2-(3-oxo-1H-isoindol-2-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)acetic acid is sourced from PubChem (CID 771115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).