N-(2-Methylallyl)-phthalimide

C12H11NO2 — CID 231838

IUPAC2-(2-methylprop-2-enyl)isoindole-1,3-dione
SMILESCC(=C)CN1C(=O)C2=CC=CC=C2C1=O
InChIInChI=1S/C12H11NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6H,1,7H2,2H3
InChIKeyUYKVKZZKIUBBOK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.60
Rot. Bonds2

About N-(2-Methylallyl)-phthalimide

N-(2-Methylallyl)-phthalimide (PubChem CID 231838) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)isoindole-1,3-dione.

Molecular Properties

Compound NameN-(2-Methylallyl)-phthalimide
PubChem CID231838
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(2-methylprop-2-enyl)isoindole-1,3-dione
SMILESCC(=C)CN1C(=O)C2=CC=CC=C2C1=O
InChIInChI=1S/C12H11NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6H,1,7H2,2H3
InChIKeyUYKVKZZKIUBBOK-UHFFFAOYSA-N
XLogP2.60
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity298

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-Methylallyl)-phthalimide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-Methylallyl)-phthalimide?
The IUPAC name of N-(2-Methylallyl)-phthalimide (CID 231838) is 2-(2-methylprop-2-enyl)isoindole-1,3-dione.
What is the SMILES notation for N-(2-Methylallyl)-phthalimide?
The canonical SMILES for N-(2-Methylallyl)-phthalimide is CC(=C)CN1C(=O)C2=CC=CC=C2C1=O.
What is the InChIKey of N-(2-Methylallyl)-phthalimide?
The InChIKey is UYKVKZZKIUBBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6H,1,7H2,2H3.
What are the key properties of N-(2-Methylallyl)-phthalimide?
N-(2-Methylallyl)-phthalimide has a molecular weight of 201.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-Methylallyl)-phthalimide is sourced from PubChem (CID 231838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).