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

C10H4MoN2O2-4 — CID 3819875

IUPACcarbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide
SMILES[C-]#[O+].[C-]#[O+].[Mo+2].[c-]1[c-][c-][cH-][c-]1.c1cn[n-]c1
InChIInChI=1S/C5H.C3H3N2.2CO.Mo/c2*1-2-4-5-3-1;2*1-2;/h1H;1-3H;;;/q-5;-1;;;+2
InChIKeyNZJBIDZPOOYDEI-UHFFFAOYSA-N
MW280.09 g/mol
LogP0.57
Rot. Bonds

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

carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide (PubChem CID 3819875) has the molecular formula C10H4MoN2O2-4 and a molecular weight of 280.09 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide
PubChem CID3819875
Molecular FormulaC10H4MoN2O2-4
Molecular Weight280.09 g/mol
Exact Mass281.93
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide
SMILES[C-]#[O+].[C-]#[O+].[Mo+2].[c-]1[c-][c-][cH-][c-]1.c1cn[n-]c1
InChIInChI=1S/C5H.C3H3N2.2CO.Mo/c2*1-2-4-5-3-1;2*1-2;/h1H;1-3H;;;/q-5;-1;;;+2
InChIKeyNZJBIDZPOOYDEI-UHFFFAOYSA-N
XLogP0.57
TPSA66.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide (CID 3819875) is carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide is [C-]#[O+].[C-]#[O+].[Mo+2].[c-]1[c-][c-][cH-][c-]1.c1cn[n-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide?
The InChIKey is NZJBIDZPOOYDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H.C3H3N2.2CO.Mo/c2*1-2-4-5-3-1;2*1-2;/h1H;1-3H;;;/q-5;-1;;;+2.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide?
carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide has a molecular weight of 280.09 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;molybdenum(2+);pyrazol-1-ide is sourced from PubChem (CID 3819875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).