5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

C10H13ClN2O3 — CID 121202385

IUPAC5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCN1C(=O)C2CN(C(=O)CCCl)CC2C1=O
InChIInChI=1S/C10H13ClN2O3/c1-12-9(15)6-4-13(8(14)2-3-11)5-7(6)10(12)16/h6-7H,2-5H2,1H3
InChIKeyGVHNTGFYUOUDNA-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.31
Rot. Bonds2

About 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (PubChem CID 121202385) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
PubChem CID121202385
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCN1C(=O)C2CN(C(=O)CCCl)CC2C1=O
InChIInChI=1S/C10H13ClN2O3/c1-12-9(15)6-4-13(8(14)2-3-11)5-7(6)10(12)16/h6-7H,2-5H2,1H3
InChIKeyGVHNTGFYUOUDNA-UHFFFAOYSA-N
XLogP-0.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-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 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (CID 121202385) is 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is CN1C(=O)C2CN(C(=O)CCCl)CC2C1=O.
What is the InChIKey of 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The InChIKey is GVHNTGFYUOUDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-12-9(15)6-4-13(8(14)2-3-11)5-7(6)10(12)16/h6-7H,2-5H2,1H3.
What are the key properties of 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione has a molecular weight of 244.68 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropanoyl)-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 121202385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).