carbon monoxide;ethylidenecyclopropane

C6H8O — CID 173287215

IUPACcarbon monoxide;ethylidenecyclopropane
SMILESCC=C1CC1.[C-]#[O+]
InChIInChI=1S/C5H8.CO/c1-2-5-3-4-5;1-2/h2H,3-4H2,1H3;
InChIKeyPFMCEWBGBCZLLB-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.69
Rot. Bonds

About carbon monoxide;ethylidenecyclopropane

carbon monoxide;ethylidenecyclopropane (PubChem CID 173287215) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is carbon monoxide;ethylidenecyclopropane.

Molecular Properties

Compound Namecarbon monoxide;ethylidenecyclopropane
PubChem CID173287215
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namecarbon monoxide;ethylidenecyclopropane
SMILESCC=C1CC1.[C-]#[O+]
InChIInChI=1S/C5H8.CO/c1-2-5-3-4-5;1-2/h2H,3-4H2,1H3;
InChIKeyPFMCEWBGBCZLLB-UHFFFAOYSA-N
XLogP1.69
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;ethylidenecyclopropane?
The IUPAC name of carbon monoxide;ethylidenecyclopropane (CID 173287215) is carbon monoxide;ethylidenecyclopropane.
What is the SMILES notation for carbon monoxide;ethylidenecyclopropane?
The canonical SMILES for carbon monoxide;ethylidenecyclopropane is CC=C1CC1.[C-]#[O+].
What is the InChIKey of carbon monoxide;ethylidenecyclopropane?
The InChIKey is PFMCEWBGBCZLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.CO/c1-2-5-3-4-5;1-2/h2H,3-4H2,1H3;.
What are the key properties of carbon monoxide;ethylidenecyclopropane?
carbon monoxide;ethylidenecyclopropane has a molecular weight of 96.13 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;ethylidenecyclopropane is sourced from PubChem (CID 173287215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).