3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium

C8H10N2O2ReRf-2 — CID 58760786

IUPAC3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium
SMILESCC12[CH-]N[CH-]C1(C)C(=O)NC2=O.[Re].[Rf]
InChIInChI=1S/C8H10N2O2.Re.Rf/c1-7-3-9-4-8(7,2)6(12)10-5(7)11;;/h3-4,9H,1-2H3,(H,10,11,12);;/q-2;;
InChIKeyMXENDCRBLCDUDG-UHFFFAOYSA-N
MW619.39 g/mol
LogP-0.42
Rot. Bonds

About 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium

3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium (PubChem CID 58760786) has the molecular formula C8H10N2O2ReRf-2 and a molecular weight of 619.39 g/mol. Its IUPAC name is 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium.

Molecular Properties

Compound Name3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium
PubChem CID58760786
Molecular FormulaC8H10N2O2ReRf-2
Molecular Weight619.39 g/mol
Exact Mass620.15
IUPAC Name3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium
SMILESCC12[CH-]N[CH-]C1(C)C(=O)NC2=O.[Re].[Rf]
InChIInChI=1S/C8H10N2O2.Re.Rf/c1-7-3-9-4-8(7,2)6(12)10-5(7)11;;/h3-4,9H,1-2H3,(H,10,11,12);;/q-2;;
InChIKeyMXENDCRBLCDUDG-UHFFFAOYSA-N
XLogP-0.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3,3,4,4-tetramethylazetidin-2-one
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CID 6994319
3,3-dimethyl-5-methyliminopyrrolidin-2-one
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(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
3,6-dihydroxy-5,6-dimethylcyclohexa-2,4-dien-1-one
CID 130030729
(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one
CID 166078625
CID 67925805
CID 67925805
3,3-dimethyl-1H-1,4-diazepin-2-one
CID 146529911
3-ethyl-4-hydroxy-3-methylpyrrolidine-2,5-dione
CID 54322773

Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium?
The IUPAC name of 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium (CID 58760786) is 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium.
What is the SMILES notation for 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium?
The canonical SMILES for 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium is CC12[CH-]N[CH-]C1(C)C(=O)NC2=O.[Re].[Rf].
What is the InChIKey of 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium?
The InChIKey is MXENDCRBLCDUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.Re.Rf/c1-7-3-9-4-8(7,2)6(12)10-5(7)11;;/h3-4,9H,1-2H3,(H,10,11,12);;/q-2;;.
What are the key properties of 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium?
3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium has a molecular weight of 619.39 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyrrole-1,3-diide-4,6-dione;rhenium;rutherfordium is sourced from PubChem (CID 58760786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).