furan-2-carbaldehyde;3H-furan-2-one

C9H8O4 — CID 162124020

IUPACfuran-2-carbaldehyde;3H-furan-2-one
SMILESO=C1CC=CO1.O=Cc1ccco1
InChIInChI=1S/C5H4O2.C4H4O2/c6-4-5-2-1-3-7-5;5-4-2-1-3-6-4/h1-4H;1,3H,2H2
InChIKeyZHUCVEVBCIPPES-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.54
Rot. Bonds1

About furan-2-carbaldehyde;3H-furan-2-one

furan-2-carbaldehyde;3H-furan-2-one (PubChem CID 162124020) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is furan-2-carbaldehyde;3H-furan-2-one.

Molecular Properties

Compound Namefuran-2-carbaldehyde;3H-furan-2-one
PubChem CID162124020
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Namefuran-2-carbaldehyde;3H-furan-2-one
SMILESO=C1CC=CO1.O=Cc1ccco1
InChIInChI=1S/C5H4O2.C4H4O2/c6-4-5-2-1-3-7-5;5-4-2-1-3-6-4/h1-4H;1,3H,2H2
InChIKeyZHUCVEVBCIPPES-UHFFFAOYSA-N
XLogP1.54
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-carbaldehyde;3H-furan-2-one?
The IUPAC name of furan-2-carbaldehyde;3H-furan-2-one (CID 162124020) is furan-2-carbaldehyde;3H-furan-2-one.
What is the SMILES notation for furan-2-carbaldehyde;3H-furan-2-one?
The canonical SMILES for furan-2-carbaldehyde;3H-furan-2-one is O=C1CC=CO1.O=Cc1ccco1.
What is the InChIKey of furan-2-carbaldehyde;3H-furan-2-one?
The InChIKey is ZHUCVEVBCIPPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.C4H4O2/c6-4-5-2-1-3-7-5;5-4-2-1-3-6-4/h1-4H;1,3H,2H2.
What are the key properties of furan-2-carbaldehyde;3H-furan-2-one?
furan-2-carbaldehyde;3H-furan-2-one has a molecular weight of 180.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbaldehyde;3H-furan-2-one is sourced from PubChem (CID 162124020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).