1-ethenylpyrrolidin-2-one;furan-2,5-dione

C10H11NO4 — CID 22904624

IUPAC1-ethenylpyrrolidin-2-one;furan-2,5-dione
SMILESC=CN1CCCC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C6H9NO.C4H2O3/c1-2-7-5-3-4-6(7)8;5-3-1-2-4(6)7-3/h2H,1,3-5H2;1-2H
InChIKeyKTHZGUZLCWLVKL-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.38
Rot. Bonds1

About 1-ethenylpyrrolidin-2-one;furan-2,5-dione

1-ethenylpyrrolidin-2-one;furan-2,5-dione (PubChem CID 22904624) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;furan-2,5-dione.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;furan-2,5-dione
PubChem CID22904624
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-ethenylpyrrolidin-2-one;furan-2,5-dione
SMILESC=CN1CCCC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C6H9NO.C4H2O3/c1-2-7-5-3-4-6(7)8;5-3-1-2-4(6)7-3/h2H,1,3-5H2;1-2H
InChIKeyKTHZGUZLCWLVKL-UHFFFAOYSA-N
XLogP0.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
The IUPAC name of 1-ethenylpyrrolidin-2-one;furan-2,5-dione (CID 22904624) is 1-ethenylpyrrolidin-2-one;furan-2,5-dione.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;furan-2,5-dione is C=CN1CCCC1=O.O=C1C=CC(=O)O1.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
The InChIKey is KTHZGUZLCWLVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H2O3/c1-2-7-5-3-4-6(7)8;5-3-1-2-4(6)7-3/h2H,1,3-5H2;1-2H.
What are the key properties of 1-ethenylpyrrolidin-2-one;furan-2,5-dione?
1-ethenylpyrrolidin-2-one;furan-2,5-dione has a molecular weight of 209.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;furan-2,5-dione is sourced from PubChem (CID 22904624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).