carbon monoxide;5H-inden-5-ide;manganese

C12H7MnO3- — CID 12585434

IUPACcarbon monoxide;5H-inden-5-ide;manganese
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].c1cc2cc[cH-]cc-2c1
InChIInChI=1S/C9H7.3CO.Mn/c1-2-5-9-7-3-6-8(9)4-1;3*1-2;/h1-7H;;;;/q-1;;;;
InChIKeyIOOYQTBZFKGDDE-UHFFFAOYSA-N
MW254.12 g/mol
LogP2.40
Rot. Bonds

About carbon monoxide;5H-inden-5-ide;manganese

carbon monoxide;5H-inden-5-ide;manganese (PubChem CID 12585434) has the molecular formula C12H7MnO3- and a molecular weight of 254.12 g/mol. Its IUPAC name is carbon monoxide;5H-inden-5-ide;manganese.

Molecular Properties

Compound Namecarbon monoxide;5H-inden-5-ide;manganese
PubChem CID12585434
Molecular FormulaC12H7MnO3-
Molecular Weight254.12 g/mol
Exact Mass253.98
IUPAC Namecarbon monoxide;5H-inden-5-ide;manganese
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].c1cc2cc[cH-]cc-2c1
InChIInChI=1S/C9H7.3CO.Mn/c1-2-5-9-7-3-6-8(9)4-1;3*1-2;/h1-7H;;;;/q-1;;;;
InChIKeyIOOYQTBZFKGDDE-UHFFFAOYSA-N
XLogP2.40
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 52.40
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'}

Analyze carbon monoxide;5H-inden-5-ide;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;5H-inden-5-ide;manganese?
The IUPAC name of carbon monoxide;5H-inden-5-ide;manganese (CID 12585434) is carbon monoxide;5H-inden-5-ide;manganese.
What is the SMILES notation for carbon monoxide;5H-inden-5-ide;manganese?
The canonical SMILES for carbon monoxide;5H-inden-5-ide;manganese is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].c1cc2cc[cH-]cc-2c1.
What is the InChIKey of carbon monoxide;5H-inden-5-ide;manganese?
The InChIKey is IOOYQTBZFKGDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.3CO.Mn/c1-2-5-9-7-3-6-8(9)4-1;3*1-2;/h1-7H;;;;/q-1;;;;.
What are the key properties of carbon monoxide;5H-inden-5-ide;manganese?
carbon monoxide;5H-inden-5-ide;manganese has a molecular weight of 254.12 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;5H-inden-5-ide;manganese is sourced from PubChem (CID 12585434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).