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

C10H16N2O3 — CID 121202402

IUPAC5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCCN1C(=O)C2CN(CCO)CC2C1=O
InChIInChI=1S/C10H16N2O3/c1-2-12-9(14)7-5-11(3-4-13)6-8(7)10(12)15/h7-8,13H,2-6H2,1H3
InChIKeyQUFUISYCFCILPM-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.08
Rot. Bonds3

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

5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 121202402) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID121202402
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCCN1C(=O)C2CN(CCO)CC2C1=O
InChIInChI=1S/C10H16N2O3/c1-2-12-9(14)7-5-11(3-4-13)6-8(7)10(12)15/h7-8,13H,2-6H2,1H3
InChIKeyQUFUISYCFCILPM-UHFFFAOYSA-N
XLogP-1.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione (CID 121202402) is 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is CCN1C(=O)C2CN(CCO)CC2C1=O.
What is the InChIKey of 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is QUFUISYCFCILPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-12-9(14)7-5-11(3-4-13)6-8(7)10(12)15/h7-8,13H,2-6H2,1H3.
What are the key properties of 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione?
5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 212.25 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxyethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 121202402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).