2-(dimethylamino)-2-methylindene-1,3-dione

C12H13NO2 — CID 5342383

IUPAC2-(dimethylamino)-2-methylindene-1,3-dione
SMILESCN(C)C1(C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H13NO2/c1-12(13(2)3)10(14)8-6-4-5-7-9(8)11(12)15/h4-7H,1-3H3
InChIKeyWUPFZRMVIGFOCV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.39
Rot. Bonds1

About 2-(dimethylamino)-2-methylindene-1,3-dione

2-(dimethylamino)-2-methylindene-1,3-dione (PubChem CID 5342383) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methylindene-1,3-dione.

Molecular Properties

Compound Name2-(dimethylamino)-2-methylindene-1,3-dione
PubChem CID5342383
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(dimethylamino)-2-methylindene-1,3-dione
SMILESCN(C)C1(C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H13NO2/c1-12(13(2)3)10(14)8-6-4-5-7-9(8)11(12)15/h4-7H,1-3H3
InChIKeyWUPFZRMVIGFOCV-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-2-methylindene-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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-methylindene-1,3-dione?
The IUPAC name of 2-(dimethylamino)-2-methylindene-1,3-dione (CID 5342383) is 2-(dimethylamino)-2-methylindene-1,3-dione.
What is the SMILES notation for 2-(dimethylamino)-2-methylindene-1,3-dione?
The canonical SMILES for 2-(dimethylamino)-2-methylindene-1,3-dione is CN(C)C1(C)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(dimethylamino)-2-methylindene-1,3-dione?
The InChIKey is WUPFZRMVIGFOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(13(2)3)10(14)8-6-4-5-7-9(8)11(12)15/h4-7H,1-3H3.
What are the key properties of 2-(dimethylamino)-2-methylindene-1,3-dione?
2-(dimethylamino)-2-methylindene-1,3-dione has a molecular weight of 203.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methylindene-1,3-dione is sourced from PubChem (CID 5342383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).