carbon monoxide;manganese;2-methylcyclopenta-1,3-diene

C9H7MnO3- — CID 25511

IUPACcarbon monoxide;manganese;2-methylcyclopenta-1,3-diene
SMILESCc1cc[cH-]c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;
InChIKeyIYSGJCJSRBFZSZ-UHFFFAOYSA-N
MW218.09 g/mol
LogP1.60
Rot. Bonds

About carbon monoxide;manganese;2-methylcyclopenta-1,3-diene

carbon monoxide;manganese;2-methylcyclopenta-1,3-diene (PubChem CID 25511) has the molecular formula C9H7MnO3- and a molecular weight of 218.09 g/mol. Its IUPAC name is carbon monoxide;manganese;2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbon monoxide;manganese;2-methylcyclopenta-1,3-diene
PubChem CID25511
Molecular FormulaC9H7MnO3-
Molecular Weight218.09 g/mol
Exact Mass217.98
IUPAC Namecarbon monoxide;manganese;2-methylcyclopenta-1,3-diene
SMILESCc1cc[cH-]c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;
InChIKeyIYSGJCJSRBFZSZ-UHFFFAOYSA-N
XLogP1.60
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 51.60
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;manganese;2-methylcyclopenta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

Cymantrene
CID 61551
Carbon monoxide;chromium;toluene
CID 11172208
Lithium n-butylcyclopentadienide
CID 55253306
CID 11984645
CID 11984645
Dimethyl titanocene
CID 129651941
Carbon monoxide;chromium;styrene
CID 10988375
(Ethylbenzene)tricarbonylchromium(0)
CID 11032050
Carbon monoxide;molybdenum;toluene
CID 11821735
1,1'-Dimethylferrocen
CID 517423
2-Propan-2-ylcyclopenta-1,3-diene
CID 4167300
CID 4293996
CID 4293996
CID 4607244
CID 4607244

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;manganese;2-methylcyclopenta-1,3-diene?
The IUPAC name of carbon monoxide;manganese;2-methylcyclopenta-1,3-diene (CID 25511) is carbon monoxide;manganese;2-methylcyclopenta-1,3-diene.
What is the SMILES notation for carbon monoxide;manganese;2-methylcyclopenta-1,3-diene?
The canonical SMILES for carbon monoxide;manganese;2-methylcyclopenta-1,3-diene is Cc1cc[cH-]c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of carbon monoxide;manganese;2-methylcyclopenta-1,3-diene?
The InChIKey is IYSGJCJSRBFZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;.
What are the key properties of carbon monoxide;manganese;2-methylcyclopenta-1,3-diene?
carbon monoxide;manganese;2-methylcyclopenta-1,3-diene has a molecular weight of 218.09 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;manganese;2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 25511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).