carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese

C10H7MnO4- — CID 12618807

IUPACcarbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
SMILESCC([O-])=C1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C7H8O.3CO.Mn/c1-6(8)7-4-2-3-5-7;3*1-2;/h2-5,8H,1H3;;;;/p-1
InChIKeyXVVOHXHJKMXSAU-UHFFFAOYSA-M
MW246.10 g/mol
LogP0.63
Rot. Bonds

About carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese

carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese (PubChem CID 12618807) has the molecular formula C10H7MnO4- and a molecular weight of 246.10 g/mol. Its IUPAC name is carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese.

Molecular Properties

Compound Namecarbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
PubChem CID12618807
Molecular FormulaC10H7MnO4-
Molecular Weight246.10 g/mol
Exact Mass245.97
IUPAC Namecarbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
SMILESCC([O-])=C1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C7H8O.3CO.Mn/c1-6(8)7-4-2-3-5-7;3*1-2;/h2-5,8H,1H3;;;;/p-1
InChIKeyXVVOHXHJKMXSAU-UHFFFAOYSA-M
XLogP0.63
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese?
The IUPAC name of carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese (CID 12618807) is carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese.
What is the SMILES notation for carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese?
The canonical SMILES for carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese is CC([O-])=C1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese?
The InChIKey is XVVOHXHJKMXSAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O.3CO.Mn/c1-6(8)7-4-2-3-5-7;3*1-2;/h2-5,8H,1H3;;;;/p-1.
What are the key properties of carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese?
carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese has a molecular weight of 246.10 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese is sourced from PubChem (CID 12618807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).