acetylene;carbon monoxide

C3H2O — CID 173435553

IUPACacetylene;carbon monoxide
SMILESC#C.[C-]#[O+]
InChIInChI=1S/C2H2.CO/c2*1-2/h1-2H;
InChIKeyQBUUFJQTEUKZCN-UHFFFAOYSA-N
MW54.05 g/mol
LogP0.21
Rot. Bonds

About acetylene;carbon monoxide

acetylene;carbon monoxide (PubChem CID 173435553) has the molecular formula C3H2O and a molecular weight of 54.05 g/mol. Its IUPAC name is acetylene;carbon monoxide.

Molecular Properties

Compound Nameacetylene;carbon monoxide
PubChem CID173435553
Molecular FormulaC3H2O
Molecular Weight54.05 g/mol
Exact Mass54.01
IUPAC Nameacetylene;carbon monoxide
SMILESC#C.[C-]#[O+]
InChIInChI=1S/C2H2.CO/c2*1-2/h1-2H;
InChIKeyQBUUFJQTEUKZCN-UHFFFAOYSA-N
XLogP0.21
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.05
LogP ≤ 50.21
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;carbon monoxide?
The IUPAC name of acetylene;carbon monoxide (CID 173435553) is acetylene;carbon monoxide.
What is the SMILES notation for acetylene;carbon monoxide?
The canonical SMILES for acetylene;carbon monoxide is C#C.[C-]#[O+].
What is the InChIKey of acetylene;carbon monoxide?
The InChIKey is QBUUFJQTEUKZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.CO/c2*1-2/h1-2H;.
What are the key properties of acetylene;carbon monoxide?
acetylene;carbon monoxide has a molecular weight of 54.05 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;carbon monoxide is sourced from PubChem (CID 173435553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).