carbon monoxide;manganese;5-methylcyclopenta-1,3-diene

C9H8MnO3 — CID 139595537

IUPACcarbon monoxide;manganese;5-methylcyclopenta-1,3-diene
SMILESCC1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C6H8.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-6H,1H3;;;;
InChIKeyJCTFMUZEBAUILE-UHFFFAOYSA-N
MW219.10 g/mol
LogP1.63
Rot. Bonds

About carbon monoxide;manganese;5-methylcyclopenta-1,3-diene

carbon monoxide;manganese;5-methylcyclopenta-1,3-diene (PubChem CID 139595537) has the molecular formula C9H8MnO3 and a molecular weight of 219.10 g/mol. Its IUPAC name is carbon monoxide;manganese;5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbon monoxide;manganese;5-methylcyclopenta-1,3-diene
PubChem CID139595537
Molecular FormulaC9H8MnO3
Molecular Weight219.10 g/mol
Exact Mass218.99
IUPAC Namecarbon monoxide;manganese;5-methylcyclopenta-1,3-diene
SMILESCC1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C6H8.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-6H,1H3;;;;
InChIKeyJCTFMUZEBAUILE-UHFFFAOYSA-N
XLogP1.63
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 51.63
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;manganese;5-methylcyclopenta-1,3-diene?
The IUPAC name of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene (CID 139595537) is carbon monoxide;manganese;5-methylcyclopenta-1,3-diene.
What is the SMILES notation for carbon monoxide;manganese;5-methylcyclopenta-1,3-diene?
The canonical SMILES for carbon monoxide;manganese;5-methylcyclopenta-1,3-diene is CC1C=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene?
The InChIKey is JCTFMUZEBAUILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-6H,1H3;;;;.
What are the key properties of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene?
carbon monoxide;manganese;5-methylcyclopenta-1,3-diene has a molecular weight of 219.10 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;manganese;5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 139595537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).