3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione

C12H20N4O2 — CID 66207862

IUPAC3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1C2CNCC2CN1CCN1C(=O)CNC1=O
InChIInChI=1S/C12H20N4O2/c1-8-10-5-13-4-9(10)7-15(8)2-3-16-11(17)6-14-12(16)18/h8-10,13H,2-7H2,1H3,(H,14,18)
InChIKeyZOPWSRDEBMQCNF-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.92
Rot. Bonds3

About 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione

3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 66207862) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione
PubChem CID66207862
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1C2CNCC2CN1CCN1C(=O)CNC1=O
InChIInChI=1S/C12H20N4O2/c1-8-10-5-13-4-9(10)7-15(8)2-3-16-11(17)6-14-12(16)18/h8-10,13H,2-7H2,1H3,(H,14,18)
InChIKeyZOPWSRDEBMQCNF-UHFFFAOYSA-N
XLogP-0.92
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione (CID 66207862) is 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione is CC1C2CNCC2CN1CCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is ZOPWSRDEBMQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-10-5-13-4-9(10)7-15(8)2-3-16-11(17)6-14-12(16)18/h8-10,13H,2-7H2,1H3,(H,14,18).
What are the key properties of 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66207862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).