ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione

C8H13NO2 — CID 90969229

IUPACethane;1-methyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(C)C1=O.CC
InChIInChI=1S/C6H7NO2.C2H6/c1-4-3-5(8)7(2)6(4)9;1-2/h1,3H2,2H3;1-2H3
InChIKeyPXLIRHDREINALA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds

About ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione

ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione (PubChem CID 90969229) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;1-methyl-3-methylidenepyrrolidine-2,5-dione
PubChem CID90969229
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethane;1-methyl-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(C)C1=O.CC
InChIInChI=1S/C6H7NO2.C2H6/c1-4-3-5(8)7(2)6(4)9;1-2/h1,3H2,2H3;1-2H3
InChIKeyPXLIRHDREINALA-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione (CID 90969229) is ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(C)C1=O.CC.
What is the InChIKey of ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is PXLIRHDREINALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C2H6/c1-4-3-5(8)7(2)6(4)9;1-2/h1,3H2,2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione?
ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 155.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 90969229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).