CID 134886206

C11H11FeO- — CID 134886206

IUPAC—
SMILES[CH-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/2C5H5.CHO.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H;/q;;-1;
InChIKeyFZLATAODSGXFCW-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.77
Rot. Bonds

About CID 134886206

CID 134886206 (PubChem CID 134886206) has the molecular formula C11H11FeO- and a molecular weight of 215.05 g/mol.

Molecular Properties

Compound NameCID 134886206
PubChem CID134886206
Molecular FormulaC11H11FeO-
Molecular Weight215.05 g/mol
Exact Mass215.02
IUPAC Name—
SMILES[CH-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/2C5H5.CHO.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H;/q;;-1;
InChIKeyFZLATAODSGXFCW-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 134886206 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

CID 11241366
CID 11241366
iron;iron(5+);methanone
CID 174711267
CID 135082852
CID 135082852
CID 11084914
CID 11084914
benzene;methanone;nickel
CID 174940879
benzene;methanone;platinum
CID 174541300
CID 134905932
CID 134905932
Tris(cyclopentadienyl)gadolinium(III), 99.9% trace metals basis
CID 121233145
manganese;methanone
CID 87144704
CID 11804989
CID 11804989
methane;methanone
CID 159005271
methanone;technetium
CID 87143349

Frequently Asked Questions

What is the IUPAC name of CID 134886206?
The IUPAC name of CID 134886206 (CID 134886206) is not available.
What is the SMILES notation for CID 134886206?
The canonical SMILES for CID 134886206 is [CH-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134886206?
The InChIKey is FZLATAODSGXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CHO.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H;/q;;-1;.
What are the key properties of CID 134886206?
CID 134886206 has a molecular weight of 215.05 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134886206 is sourced from PubChem (CID 134886206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).