1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione

C6H7NO3 — CID 123728448

IUPAC1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione
SMILESC=C1C(=O)N(O)C(=O)C1C
InChIInChI=1S/C6H7NO3/c1-3-4(2)6(9)7(10)5(3)8/h4,10H,1H2,2H3
InChIKeyYFFXMQSYXVIXHA-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.06
Rot. Bonds

About 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione

1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione (PubChem CID 123728448) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione
PubChem CID123728448
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione
SMILESC=C1C(=O)N(O)C(=O)C1C
InChIInChI=1S/C6H7NO3/c1-3-4(2)6(9)7(10)5(3)8/h4,10H,1H2,2H3
InChIKeyYFFXMQSYXVIXHA-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione (CID 123728448) is 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione is C=C1C(=O)N(O)C(=O)C1C.
What is the InChIKey of 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione?
The InChIKey is YFFXMQSYXVIXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-3-4(2)6(9)7(10)5(3)8/h4,10H,1H2,2H3.
What are the key properties of 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione?
1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-4-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 123728448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).