N-(hydroxymethyl)phthalimide

C9H7NO3 — CID 8354

IUPAC2-(hydroxymethyl)isoindole-1,3-dione
SMILESC1=CC=C2C(=C1)C(=O)N(C2=O)CO
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
LogP1.50
Rot. Bonds1

About N-(hydroxymethyl)phthalimide

N-(hydroxymethyl)phthalimide (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 NameN-(hydroxymethyl)phthalimide
PubChem CID8354
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-(hydroxymethyl)isoindole-1,3-dione
SMILESC1=CC=C2C(=C1)C(=O)N(C2=O)CO
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
XLogP1.50
TPSA57.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)phthalimide?
The IUPAC name of N-(hydroxymethyl)phthalimide (CID 8354) is 2-(hydroxymethyl)isoindole-1,3-dione.
What is the SMILES notation for N-(hydroxymethyl)phthalimide?
The canonical SMILES for N-(hydroxymethyl)phthalimide is C1=CC=C2C(=C1)C(=O)N(C2=O)CO.
What is the InChIKey of N-(hydroxymethyl)phthalimide?
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 N-(hydroxymethyl)phthalimide?
N-(hydroxymethyl)phthalimide has a molecular weight of 177.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)phthalimide is sourced from PubChem (CID 8354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).