Phthalimide

C8H5NO2 — CID 6809

IUPACisoindole-1,3-dione
SMILESC1=CC=C2C(=C1)C(=O)NC2=O
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChIKeyXKJCHHZQLQNZHY-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.10
Rot. Bonds

About Phthalimide

Phthalimide (PubChem CID 6809) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is isoindole-1,3-dione.

Molecular Properties

Compound NamePhthalimide
PubChem CID6809
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Nameisoindole-1,3-dione
SMILESC1=CC=C2C(=C1)C(=O)NC2=O
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChIKeyXKJCHHZQLQNZHY-UHFFFAOYSA-N
XLogP1.10
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity190

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Phthalimide?
The IUPAC name of Phthalimide (CID 6809) is isoindole-1,3-dione.
What is the SMILES notation for Phthalimide?
The canonical SMILES for Phthalimide is C1=CC=C2C(=C1)C(=O)NC2=O.
What is the InChIKey of Phthalimide?
The InChIKey is XKJCHHZQLQNZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11).
What are the key properties of Phthalimide?
Phthalimide has a molecular weight of 147.13 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Phthalimide is sourced from PubChem (CID 6809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).