2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride

C6H9ClN2O2 — CID 57476085

IUPAC2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2CNCC12
InChIInChI=1S/C6H8N2O2.ClH/c9-5-3-1-7-2-4(3)6(10)8-5;/h3-4,7H,1-2H2,(H,8,9,10);1H
InChIKeyUBPXTCGWMYXRPF-UHFFFAOYSA-N
MW176.60 g/mol
LogP-1.10
Rot. Bonds

About 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride

2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride (PubChem CID 57476085) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride.

Molecular Properties

Compound Name2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
PubChem CID57476085
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2CNCC12
InChIInChI=1S/C6H8N2O2.ClH/c9-5-3-1-7-2-4(3)6(10)8-5;/h3-4,7H,1-2H2,(H,8,9,10);1H
InChIKeyUBPXTCGWMYXRPF-UHFFFAOYSA-N
XLogP-1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
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 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride?
The IUPAC name of 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride (CID 57476085) is 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride.
What is the SMILES notation for 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride?
The canonical SMILES for 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride is Cl.O=C1NC(=O)C2CNCC12.
What is the InChIKey of 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride?
The InChIKey is UBPXTCGWMYXRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c9-5-3-1-7-2-4(3)6(10)8-5;/h3-4,7H,1-2H2,(H,8,9,10);1H.
What are the key properties of 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride?
2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride is sourced from PubChem (CID 57476085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).