carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)

C14H20MoN2O4 — CID 131856980

IUPACcarbon monoxide;molybdenum(2+);bis(piperidin-1-ide)
SMILESC1CC[N-]CC1.C1CC[N-]CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo+2]
InChIInChI=1S/2C5H10N.4CO.Mo/c2*1-2-4-6-5-3-1;4*1-2;/h2*1-5H2;;;;;/q2*-1;;;;;+2
InChIKeyTYSVQOIWOKOCLL-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.94
Rot. Bonds

About carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)

carbon monoxide;molybdenum(2+);bis(piperidin-1-ide) (PubChem CID 131856980) has the molecular formula C14H20MoN2O4 and a molecular weight of 376.26 g/mol. Its IUPAC name is carbon monoxide;molybdenum(2+);bis(piperidin-1-ide).

Molecular Properties

Compound Namecarbon monoxide;molybdenum(2+);bis(piperidin-1-ide)
PubChem CID131856980
Molecular FormulaC14H20MoN2O4
Molecular Weight376.26 g/mol
Exact Mass378.05
IUPAC Namecarbon monoxide;molybdenum(2+);bis(piperidin-1-ide)
SMILESC1CC[N-]CC1.C1CC[N-]CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo+2]
InChIInChI=1S/2C5H10N.4CO.Mo/c2*1-2-4-6-5-3-1;4*1-2;/h2*1-5H2;;;;;/q2*-1;;;;;+2
InChIKeyTYSVQOIWOKOCLL-UHFFFAOYSA-N
XLogP2.94
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)?
The IUPAC name of carbon monoxide;molybdenum(2+);bis(piperidin-1-ide) (CID 131856980) is carbon monoxide;molybdenum(2+);bis(piperidin-1-ide).
What is the SMILES notation for carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)?
The canonical SMILES for carbon monoxide;molybdenum(2+);bis(piperidin-1-ide) is C1CC[N-]CC1.C1CC[N-]CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo+2].
What is the InChIKey of carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)?
The InChIKey is TYSVQOIWOKOCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N.4CO.Mo/c2*1-2-4-6-5-3-1;4*1-2;/h2*1-5H2;;;;;/q2*-1;;;;;+2.
What are the key properties of carbon monoxide;molybdenum(2+);bis(piperidin-1-ide)?
carbon monoxide;molybdenum(2+);bis(piperidin-1-ide) has a molecular weight of 376.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum(2+);bis(piperidin-1-ide) is sourced from PubChem (CID 131856980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).