5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione

C12H10Cl2N2O2 — CID 79168487

IUPAC5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC(Cl)=CCl)cc2C1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-16-11(17)9-3-2-8(4-10(9)12(16)18)15-6-7(14)5-13/h2-5,15H,6H2,1H3
InChIKeyWQDHMFSLSGPQOE-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.64
Rot. Bonds3

About 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione

5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione (PubChem CID 79168487) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione
PubChem CID79168487
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(NCC(Cl)=CCl)cc2C1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-16-11(17)9-3-2-8(4-10(9)12(16)18)15-6-7(14)5-13/h2-5,15H,6H2,1H3
InChIKeyWQDHMFSLSGPQOE-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione (CID 79168487) is 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(NCC(Cl)=CCl)cc2C1=O.
What is the InChIKey of 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione?
The InChIKey is WQDHMFSLSGPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-16-11(17)9-3-2-8(4-10(9)12(16)18)15-6-7(14)5-13/h2-5,15H,6H2,1H3.
What are the key properties of 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione?
5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione has a molecular weight of 285.13 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 79168487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).