furan-2,5-dione;pyrrolidin-2-one

C8H9NO4 — CID 88759483

IUPACfuran-2,5-dione;pyrrolidin-2-one
SMILESO=C1C=CC(=O)O1.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H2O3/c6-4-2-1-3-5-4;5-3-1-2-4(6)7-3/h1-3H2,(H,5,6);1-2H
InChIKeyOUNBWXPVGHBCQO-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.48
Rot. Bonds

About furan-2,5-dione;pyrrolidin-2-one

furan-2,5-dione;pyrrolidin-2-one (PubChem CID 88759483) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is furan-2,5-dione;pyrrolidin-2-one.

Molecular Properties

Compound Namefuran-2,5-dione;pyrrolidin-2-one
PubChem CID88759483
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Namefuran-2,5-dione;pyrrolidin-2-one
SMILESO=C1C=CC(=O)O1.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H2O3/c6-4-2-1-3-5-4;5-3-1-2-4(6)7-3/h1-3H2,(H,5,6);1-2H
InChIKeyOUNBWXPVGHBCQO-UHFFFAOYSA-N
XLogP-0.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 67427827
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CID 68619788
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CID 68954032
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CID 70545245
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Dibutyl but-2-enedioate;pyrrolidin-2-one
CID 70591024

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;pyrrolidin-2-one?
The IUPAC name of furan-2,5-dione;pyrrolidin-2-one (CID 88759483) is furan-2,5-dione;pyrrolidin-2-one.
What is the SMILES notation for furan-2,5-dione;pyrrolidin-2-one?
The canonical SMILES for furan-2,5-dione;pyrrolidin-2-one is O=C1C=CC(=O)O1.O=C1CCCN1.
What is the InChIKey of furan-2,5-dione;pyrrolidin-2-one?
The InChIKey is OUNBWXPVGHBCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H2O3/c6-4-2-1-3-5-4;5-3-1-2-4(6)7-3/h1-3H2,(H,5,6);1-2H.
What are the key properties of furan-2,5-dione;pyrrolidin-2-one?
furan-2,5-dione;pyrrolidin-2-one has a molecular weight of 183.16 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;pyrrolidin-2-one is sourced from PubChem (CID 88759483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).