5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione

C12H12Cl2N2O2 — CID 139629783

IUPAC5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione
SMILESCN(C)CCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H12Cl2N2O2/c1-15(2)3-4-16-10-8(11(17)12(16)18)5-7(13)6-9(10)14/h5-6H,3-4H2,1-2H3
InChIKeySAAUOMSBZNKRDD-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.08
Rot. Bonds3

About 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione

5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione (PubChem CID 139629783) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione
PubChem CID139629783
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione
SMILESCN(C)CCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H12Cl2N2O2/c1-15(2)3-4-16-10-8(11(17)12(16)18)5-7(13)6-9(10)14/h5-6H,3-4H2,1-2H3
InChIKeySAAUOMSBZNKRDD-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-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 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione?
The IUPAC name of 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione (CID 139629783) is 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione.
What is the SMILES notation for 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione?
The canonical SMILES for 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione is CN(C)CCN1C(=O)C(=O)c2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione?
The InChIKey is SAAUOMSBZNKRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-15(2)3-4-16-10-8(11(17)12(16)18)5-7(13)6-9(10)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione?
5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione has a molecular weight of 287.15 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-[2-(dimethylamino)ethyl]indole-2,3-dione is sourced from PubChem (CID 139629783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).