carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)

C7H5MoO2+ — CID 42615928

IUPACcarbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)
SMILES[C-]#[O+].[C-]#[O+].[Mo+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.2CO.Mo/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q-1;;;+2
InChIKeySMFPVEQWYBNZNL-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.33
Rot. Bonds

About carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)

carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+) (PubChem CID 42615928) has the molecular formula C7H5MoO2+ and a molecular weight of 217.06 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+).

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)
PubChem CID42615928
Molecular FormulaC7H5MoO2+
Molecular Weight217.06 g/mol
Exact Mass218.93
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)
SMILES[C-]#[O+].[C-]#[O+].[Mo+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.2CO.Mo/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q-1;;;+2
InChIKeySMFPVEQWYBNZNL-UHFFFAOYSA-N
XLogP1.33
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.33
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+) (CID 42615928) is carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+).
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+) is [C-]#[O+].[C-]#[O+].[Mo+2].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)?
The InChIKey is SMFPVEQWYBNZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CO.Mo/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q-1;;;+2.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+)?
carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+) has a molecular weight of 217.06 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+) is sourced from PubChem (CID 42615928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).