2-(hydroxymethyl)isoindole-1,3-dione

C9H7NO3 — CID 8354

IUPAC2-(hydroxymethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CO
InChIInChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2
InChIKeyMNSGOOCAMMSKGI-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.23
Rot. Bonds1

About 2-(hydroxymethyl)isoindole-1,3-dione

2-(hydroxymethyl)isoindole-1,3-dione (PubChem CID 8354) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(hydroxymethyl)isoindole-1,3-dione
PubChem CID8354
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-(hydroxymethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CO
InChIInChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2
InChIKeyMNSGOOCAMMSKGI-UHFFFAOYSA-N
XLogP0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 12901
CID 12901
CID 8607
CID 8607
CID 28777
CID 28777
CID 6809
CID 6809
CID 11074
CID 11074
CID 10665
CID 10665
CID 10199
CID 10199
CID 21207
CID 21207
CID 77323
CID 77323
CID 21601
CID 21601
CID 67535
CID 67535
CID 73812
CID 73812

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)isoindole-1,3-dione?
The IUPAC name of 2-(hydroxymethyl)isoindole-1,3-dione (CID 8354) is 2-(hydroxymethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(hydroxymethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(hydroxymethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CO.
What is the InChIKey of 2-(hydroxymethyl)isoindole-1,3-dione?
The InChIKey is MNSGOOCAMMSKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2.
What are the key properties of 2-(hydroxymethyl)isoindole-1,3-dione?
2-(hydroxymethyl)isoindole-1,3-dione has a molecular weight of 177.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)isoindole-1,3-dione is sourced from PubChem (CID 8354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).