furan-2-carbaldehyde

C5H4O2 — CID 76972982

IUPACfuran-2-carbaldehyde
SMILESO=[13CH]c1ccco1
InChIInChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H/i4+1
InChIKeyHYBBIBNJHNGZAN-AZXPZELESA-N
MW97.08 g/mol
LogP1.09
Rot. Bonds1

About furan-2-carbaldehyde

furan-2-carbaldehyde (PubChem CID 76972982) has the molecular formula C5H4O2 and a molecular weight of 97.08 g/mol. Its IUPAC name is furan-2-carbaldehyde.

Molecular Properties

Compound Namefuran-2-carbaldehyde
PubChem CID76972982
Molecular FormulaC5H4O2
Molecular Weight97.08 g/mol
Exact Mass97.02
IUPAC Namefuran-2-carbaldehyde
SMILESO=[13CH]c1ccco1
InChIInChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H/i4+1
InChIKeyHYBBIBNJHNGZAN-AZXPZELESA-N
XLogP1.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.08
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carbaldehyde;nickel
CID 174724529
CID 175710332
CID 175710332
azane;furan-2-carbaldehyde
CID 19372392
furan-2-carbaldehyde;methoxymethane
CID 175302588
furan-2-carbaldehyde phosphate
CID 20507502
CID 171374623
CID 171374623
furan-2-carbaldehyde;nitromethane
CID 23020378
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
buta-1,3-diene;furan-2-carbaldehyde;prop-2-enenitrile
CID 88724069
cyclohexanol;furan-2-carbaldehyde
CID 163769843
ethoxymethoxymethoxyethane;furan-2-carbaldehyde
CID 87637713

Frequently Asked Questions

What is the IUPAC name of furan-2-carbaldehyde?
The IUPAC name of furan-2-carbaldehyde (CID 76972982) is furan-2-carbaldehyde.
What is the SMILES notation for furan-2-carbaldehyde?
The canonical SMILES for furan-2-carbaldehyde is O=[13CH]c1ccco1.
What is the InChIKey of furan-2-carbaldehyde?
The InChIKey is HYBBIBNJHNGZAN-AZXPZELESA-N. The full InChI is InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H/i4+1.
What are the key properties of furan-2-carbaldehyde?
furan-2-carbaldehyde has a molecular weight of 97.08 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carbaldehyde is sourced from PubChem (CID 76972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).