cyclopropene-1-carbaldehyde

C4H4O — CID 21122371

IUPACcyclopropene-1-carbaldehyde
SMILESO=CC1=CC1
InChIInChI=1S/C4H4O/c5-3-4-1-2-4/h1,3H,2H2
InChIKeyDNFUTEXWYLMSIZ-UHFFFAOYSA-N
MW68.07 g/mol
LogP0.52
Rot. Bonds1

About cyclopropene-1-carbaldehyde

cyclopropene-1-carbaldehyde (PubChem CID 21122371) has the molecular formula C4H4O and a molecular weight of 68.07 g/mol. Its IUPAC name is cyclopropene-1-carbaldehyde.

Molecular Properties

Compound Namecyclopropene-1-carbaldehyde
PubChem CID21122371
Molecular FormulaC4H4O
Molecular Weight68.07 g/mol
Exact Mass68.03
IUPAC Namecyclopropene-1-carbaldehyde
SMILESO=CC1=CC1
InChIInChI=1S/C4H4O/c5-3-4-1-2-4/h1,3H,2H2
InChIKeyDNFUTEXWYLMSIZ-UHFFFAOYSA-N
XLogP0.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.07
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropene-1-carbaldehyde?
The IUPAC name of cyclopropene-1-carbaldehyde (CID 21122371) is cyclopropene-1-carbaldehyde.
What is the SMILES notation for cyclopropene-1-carbaldehyde?
The canonical SMILES for cyclopropene-1-carbaldehyde is O=CC1=CC1.
What is the InChIKey of cyclopropene-1-carbaldehyde?
The InChIKey is DNFUTEXWYLMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O/c5-3-4-1-2-4/h1,3H,2H2.
What are the key properties of cyclopropene-1-carbaldehyde?
cyclopropene-1-carbaldehyde has a molecular weight of 68.07 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropene-1-carbaldehyde is sourced from PubChem (CID 21122371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).