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

C14H24N4O2 — CID 66207863

IUPAC5,5-dimethyl-3-[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)NC(C)(C)C1=O
InChIInChI=1S/C14H24N4O2/c1-9-11-7-15-6-10(11)8-17(9)4-5-18-12(19)14(2,3)16-13(18)20/h9-11,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyGMKWIMGHORLABQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.14
Rot. Bonds3

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

5,5-dimethyl-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 66207863) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5,5-dimethyl-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 Name5,5-dimethyl-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 CID66207863
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5,5-dimethyl-3-[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)NC(C)(C)C1=O
InChIInChI=1S/C14H24N4O2/c1-9-11-7-15-6-10(11)8-17(9)4-5-18-12(19)14(2,3)16-13(18)20/h9-11,15H,4-8H2,1-3H3,(H,16,20)
InChIKeyGMKWIMGHORLABQ-UHFFFAOYSA-N
XLogP-0.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-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 5,5-dimethyl-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 66207863) is 5,5-dimethyl-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 5,5-dimethyl-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 5,5-dimethyl-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)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-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 GMKWIMGHORLABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-11-7-15-6-10(11)8-17(9)4-5-18-12(19)14(2,3)16-13(18)20/h9-11,15H,4-8H2,1-3H3,(H,16,20).
What are the key properties of 5,5-dimethyl-3-[2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-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 280.37 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-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 66207863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).