carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese

C9H7MnO4- — CID 139264181

IUPACcarbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese
SMILESCOC([O-])=C1C=CC=C1.[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C7H8O2.2CO.Mn/c1-9-7(8)6-4-2-3-5-6;2*1-2;/h2-5,8H,1H3;;;/p-1
InChIKeyXLXVUFZUFVPUKP-UHFFFAOYSA-M
MW234.09 g/mol
LogP0.25
Rot. Bonds1

About carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese

carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese (PubChem CID 139264181) has the molecular formula C9H7MnO4- and a molecular weight of 234.09 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese
PubChem CID139264181
Molecular FormulaC9H7MnO4-
Molecular Weight234.09 g/mol
Exact Mass233.97
IUPAC Namecarbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese
SMILESCOC([O-])=C1C=CC=C1.[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C7H8O2.2CO.Mn/c1-9-7(8)6-4-2-3-5-6;2*1-2;/h2-5,8H,1H3;;;/p-1
InChIKeyXLXVUFZUFVPUKP-UHFFFAOYSA-M
XLogP0.25
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese?
The IUPAC name of carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese (CID 139264181) is carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese.
What is the SMILES notation for carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese?
The canonical SMILES for carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese is COC([O-])=C1C=CC=C1.[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese?
The InChIKey is XLXVUFZUFVPUKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O2.2CO.Mn/c1-9-7(8)6-4-2-3-5-6;2*1-2;/h2-5,8H,1H3;;;/p-1.
What are the key properties of carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese?
carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese has a molecular weight of 234.09 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate;manganese is sourced from PubChem (CID 139264181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).