2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C15H16N2O2 — CID 2812542

IUPAC2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1CNc1ccccc1
InChIInChI=1S/C15H16N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(14)10-16-11-6-2-1-3-7-11/h1-3,6-7,16H,4-5,8-10H2
InChIKeyMWVRYWBFQRZLCD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.30
Rot. Bonds3

About 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 2812542) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID2812542
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1CNc1ccccc1
InChIInChI=1S/C15H16N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(14)10-16-11-6-2-1-3-7-11/h1-3,6-7,16H,4-5,8-10H2
InChIKeyMWVRYWBFQRZLCD-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-3-methylidene-4,5,6,7-tetrahydroisoindol-1-one
CID 11064491
(1S,2R,6S,7R)-4-(anilinomethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7083827
2-[(4-phenoxyanilino)methyl]isoindole-1,3-dione
CID 708373
17-(anilinomethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3098047
2-[(4-hexylanilino)methyl]isoindole-1,3-dione
CID 3095699
2-(anilinomethyl)-4-nitroisoindole-1,3-dione
CID 554533
2-(anilinomethyl)cyclohexan-1-one
CID 5124941
methyl 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)acetate
CID 7353834
2-[[4-(4-nitrophenyl)anilino]methyl]isoindole-1,3-dione
CID 1373043
2-[(4-propanoylanilino)methyl]isoindole-1,3-dione
CID 134086677
(5E)-3-(anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 2252109
(3aR,7aS)-2-[(4-chloroanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 28624001

Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 2812542) is 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1C2=C(CCCC2)C(=O)N1CNc1ccccc1.
What is the InChIKey of 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is MWVRYWBFQRZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-12-8-4-5-9-13(12)15(19)17(14)10-16-11-6-2-1-3-7-11/h1-3,6-7,16H,4-5,8-10H2.
What are the key properties of 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 256.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 2812542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).