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

C7H8O4 — CID 18405815

IUPACfuran-2,5-dione;propan-2-one
SMILESCC(C)=O.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C3H6O/c5-3-1-2-4(6)7-3;1-3(2)4/h1-2H;1-2H3
InChIKeyWQECNUVITHHPKC-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.22
Rot. Bonds

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

furan-2,5-dione;propan-2-one (PubChem CID 18405815) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is furan-2,5-dione;propan-2-one.

Molecular Properties

Compound Namefuran-2,5-dione;propan-2-one
PubChem CID18405815
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Namefuran-2,5-dione;propan-2-one
SMILESCC(C)=O.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C3H6O/c5-3-1-2-4(6)7-3;1-3(2)4/h1-2H;1-2H3
InChIKeyWQECNUVITHHPKC-UHFFFAOYSA-N
XLogP0.22
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.22
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 furan-2,5-dione;propan-2-one?
The IUPAC name of furan-2,5-dione;propan-2-one (CID 18405815) is furan-2,5-dione;propan-2-one.
What is the SMILES notation for furan-2,5-dione;propan-2-one?
The canonical SMILES for furan-2,5-dione;propan-2-one is CC(C)=O.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;propan-2-one?
The InChIKey is WQECNUVITHHPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3.C3H6O/c5-3-1-2-4(6)7-3;1-3(2)4/h1-2H;1-2H3.
What are the key properties of furan-2,5-dione;propan-2-one?
furan-2,5-dione;propan-2-one has a molecular weight of 156.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;propan-2-one is sourced from PubChem (CID 18405815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).