formaldehyde;prop-2-enal

C4H6O2 — CID 3084466

IUPACformaldehyde;prop-2-enal
SMILESC=CC=O.C=O
InChIInChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2
InChIKeyXVVGGZUZOITHPH-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.19
Rot. Bonds1

About formaldehyde;prop-2-enal

formaldehyde;prop-2-enal (PubChem CID 3084466) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is formaldehyde;prop-2-enal.

Molecular Properties

Compound Nameformaldehyde;prop-2-enal
PubChem CID3084466
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Nameformaldehyde;prop-2-enal
SMILESC=CC=O.C=O
InChIInChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2
InChIKeyXVVGGZUZOITHPH-UHFFFAOYSA-N
XLogP0.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;prop-2-enal?
The IUPAC name of formaldehyde;prop-2-enal (CID 3084466) is formaldehyde;prop-2-enal.
What is the SMILES notation for formaldehyde;prop-2-enal?
The canonical SMILES for formaldehyde;prop-2-enal is C=CC=O.C=O.
What is the InChIKey of formaldehyde;prop-2-enal?
The InChIKey is XVVGGZUZOITHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2.
What are the key properties of formaldehyde;prop-2-enal?
formaldehyde;prop-2-enal has a molecular weight of 86.09 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;prop-2-enal is sourced from PubChem (CID 3084466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).