2-cyclopropylideneethenone

C5H4O — CID 101030698

IUPAC2-cyclopropylideneethenone
SMILESO=C=C=C1CC1
InChIInChI=1S/C5H4O/c6-4-3-5-1-2-5/h1-2H2
InChIKeyWHHHCHFCKWQCLI-UHFFFAOYSA-N
MW80.09 g/mol
LogP0.69
Rot. Bonds

About 2-cyclopropylideneethenone

2-cyclopropylideneethenone (PubChem CID 101030698) has the molecular formula C5H4O and a molecular weight of 80.09 g/mol. Its IUPAC name is 2-cyclopropylideneethenone.

Molecular Properties

Compound Name2-cyclopropylideneethenone
PubChem CID101030698
Molecular FormulaC5H4O
Molecular Weight80.09 g/mol
Exact Mass80.03
IUPAC Name2-cyclopropylideneethenone
SMILESO=C=C=C1CC1
InChIInChI=1S/C5H4O/c6-4-3-5-1-2-5/h1-2H2
InChIKeyWHHHCHFCKWQCLI-UHFFFAOYSA-N
XLogP0.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.09
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylideneethenone?
The IUPAC name of 2-cyclopropylideneethenone (CID 101030698) is 2-cyclopropylideneethenone.
What is the SMILES notation for 2-cyclopropylideneethenone?
The canonical SMILES for 2-cyclopropylideneethenone is O=C=C=C1CC1.
What is the InChIKey of 2-cyclopropylideneethenone?
The InChIKey is WHHHCHFCKWQCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O/c6-4-3-5-1-2-5/h1-2H2.
What are the key properties of 2-cyclopropylideneethenone?
2-cyclopropylideneethenone has a molecular weight of 80.09 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylideneethenone is sourced from PubChem (CID 101030698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).