5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

C14H12Cl2N2O3 — CID 10426561

IUPAC5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCCCN1C(=O)c2cc(Cl)c(Cl)cc2C12CC(=O)NC2=O
InChIInChI=1S/C14H12Cl2N2O3/c1-2-3-18-12(20)7-4-9(15)10(16)5-8(7)14(18)6-11(19)17-13(14)21/h4-5H,2-3,6H2,1H3,(H,17,19,21)
InChIKeyIXVFQRLRMJWNLJ-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.10
Rot. Bonds2

About 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione

5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10426561) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Name5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10426561
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione
SMILESCCCN1C(=O)c2cc(Cl)c(Cl)cc2C12CC(=O)NC2=O
InChIInChI=1S/C14H12Cl2N2O3/c1-2-3-18-12(20)7-4-9(15)10(16)5-8(7)14(18)6-11(19)17-13(14)21/h4-5H,2-3,6H2,1H3,(H,17,19,21)
InChIKeyIXVFQRLRMJWNLJ-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione 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 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione (CID 10426561) is 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is CCCN1C(=O)c2cc(Cl)c(Cl)cc2C12CC(=O)NC2=O.
What is the InChIKey of 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is IXVFQRLRMJWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-2-3-18-12(20)7-4-9(15)10(16)5-8(7)14(18)6-11(19)17-13(14)21/h4-5H,2-3,6H2,1H3,(H,17,19,21).
What are the key properties of 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione?
5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 327.17 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-propylspiro[isoindole-3,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).