1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

C12H12N2O3 — CID 82041242

IUPAC1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(N)=O)cc2C1=O
InChIInChI=1S/C12H12N2O3/c1-6(2)14-11(16)8-4-3-7(10(13)15)5-9(8)12(14)17/h3-6H,1-2H3,(H2,13,15)
InChIKeyUKMWYPCYTKEPOU-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.79
Rot. Bonds2

About 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (PubChem CID 82041242) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
PubChem CID82041242
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(N)=O)cc2C1=O
InChIInChI=1S/C12H12N2O3/c1-6(2)14-11(16)8-4-3-7(10(13)15)5-9(8)12(14)17/h3-6H,1-2H3,(H2,13,15)
InChIKeyUKMWYPCYTKEPOU-UHFFFAOYSA-N
XLogP0.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide 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

1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
CID 145140796
N-(2-acetamidoethyl)-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571800
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108533723
5-[4-(4-methylbenzoyl)-1,4-diazepane-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108543989
2-methylpropyl 4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568215
N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540233
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108537808
2-[(1R)-2-(4-carbamoylphenyl)-1-carboxyethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16752649
3-[4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazin-1-yl]-3-oxopropanenitrile
CID 108533025
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108534422
ethyl 4-[4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazin-1-yl]-4-oxobutanoate
CID 108568210
2-(1-ethoxy-1-oxopropan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
CID 61498776

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (CID 82041242) is 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is CC(C)N1C(=O)c2ccc(C(N)=O)cc2C1=O.
What is the InChIKey of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The InChIKey is UKMWYPCYTKEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-6(2)14-11(16)8-4-3-7(10(13)15)5-9(8)12(14)17/h3-6H,1-2H3,(H2,13,15).
What are the key properties of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 82041242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).