CID 10956449

C15H14FeO+2 — CID 10956449

IUPAC—
SMILESO=C1CCC=C1[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C10H9O.C5H5.Fe/c11-10-7-3-6-9(10)8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-6H,3,7H2;1-5H;/q;;+2
InChIKeyUNBQNZGAIQTBSO-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.70
Rot. Bonds1

About CID 10956449

CID 10956449 (PubChem CID 10956449) has the molecular formula C15H14FeO+2 and a molecular weight of 266.12 g/mol.

Molecular Properties

Compound NameCID 10956449
PubChem CID10956449
Molecular FormulaC15H14FeO+2
Molecular Weight266.12 g/mol
Exact Mass266.04
IUPAC Name—
SMILESO=C1CCC=C1[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C10H9O.C5H5.Fe/c11-10-7-3-6-9(10)8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-6H,3,7H2;1-5H;/q;;+2
InChIKeyUNBQNZGAIQTBSO-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10956449?
The IUPAC name of CID 10956449 (CID 10956449) is not available.
What is the SMILES notation for CID 10956449?
The canonical SMILES for CID 10956449 is O=C1CCC=C1[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10956449?
The InChIKey is UNBQNZGAIQTBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O.C5H5.Fe/c11-10-7-3-6-9(10)8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-6H,3,7H2;1-5H;/q;;+2.
What are the key properties of CID 10956449?
CID 10956449 has a molecular weight of 266.12 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10956449 is sourced from PubChem (CID 10956449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).