formaldehyde;propa-1,2-dien-1-one

C4H4O2 — CID 90854168

IUPACformaldehyde;propa-1,2-dien-1-one
SMILESC=C=C=O.C=O
InChIInChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1H2;1H2
InChIKeyMOVAKVJDBQBFJL-UHFFFAOYSA-N
MW84.07 g/mol
LogP-0.03
Rot. Bonds

About formaldehyde;propa-1,2-dien-1-one

formaldehyde;propa-1,2-dien-1-one (PubChem CID 90854168) has the molecular formula C4H4O2 and a molecular weight of 84.07 g/mol. Its IUPAC name is formaldehyde;propa-1,2-dien-1-one.

Molecular Properties

Compound Nameformaldehyde;propa-1,2-dien-1-one
PubChem CID90854168
Molecular FormulaC4H4O2
Molecular Weight84.07 g/mol
Exact Mass84.02
IUPAC Nameformaldehyde;propa-1,2-dien-1-one
SMILESC=C=C=O.C=O
InChIInChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1H2;1H2
InChIKeyMOVAKVJDBQBFJL-UHFFFAOYSA-N
XLogP-0.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.07
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;propa-1,2-dien-1-one?
The IUPAC name of formaldehyde;propa-1,2-dien-1-one (CID 90854168) is formaldehyde;propa-1,2-dien-1-one.
What is the SMILES notation for formaldehyde;propa-1,2-dien-1-one?
The canonical SMILES for formaldehyde;propa-1,2-dien-1-one is C=C=C=O.C=O.
What is the InChIKey of formaldehyde;propa-1,2-dien-1-one?
The InChIKey is MOVAKVJDBQBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1H2;1H2.
What are the key properties of formaldehyde;propa-1,2-dien-1-one?
formaldehyde;propa-1,2-dien-1-one has a molecular weight of 84.07 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;propa-1,2-dien-1-one is sourced from PubChem (CID 90854168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).