CID 11241366

C11H11FeO+2 — CID 11241366

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

About CID 11241366

CID 11241366 (PubChem CID 11241366) has the molecular formula C11H11FeO+2 and a molecular weight of 215.05 g/mol.

Molecular Properties

Compound NameCID 11241366
PubChem CID11241366
Molecular FormulaC11H11FeO+2
Molecular Weight215.05 g/mol
Exact Mass215.01
IUPAC Name—
SMILES[CH-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3]
InChIInChI=1S/2C5H5.CHO.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-5H;1H;/q;;-1;+3
InChIKeyUJERPUDCYYEKJM-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'}

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Frequently Asked Questions

What is the IUPAC name of CID 11241366?
The IUPAC name of CID 11241366 (CID 11241366) is not available.
What is the SMILES notation for CID 11241366?
The canonical SMILES for CID 11241366 is [CH-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3].
What is the InChIKey of CID 11241366?
The InChIKey is UJERPUDCYYEKJM-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;+3.
What are the key properties of CID 11241366?
CID 11241366 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 11241366 is sourced from PubChem (CID 11241366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).