CID 134898715

C14H15FeNO — CID 134898715

IUPAC—
SMILESC[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C9H10NO.C5H5.Fe/c1-7-6-11-9(10-7)8-4-2-3-5-8;1-2-4-5-3-1;/h2-5,7H,6H2,1H3;1-5H;/t7-;;/m0../s1
InChIKeyOJBOHDSFXRLISZ-KLXURFKVSA-N
MW269.12 g/mol
LogP2.23
Rot. Bonds1

About CID 134898715

CID 134898715 (PubChem CID 134898715) has the molecular formula C14H15FeNO and a molecular weight of 269.12 g/mol.

Molecular Properties

Compound NameCID 134898715
PubChem CID134898715
Molecular FormulaC14H15FeNO
Molecular Weight269.12 g/mol
Exact Mass269.05
IUPAC Name—
SMILESC[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C9H10NO.C5H5.Fe/c1-7-6-11-9(10-7)8-4-2-3-5-8;1-2-4-5-3-1;/h2-5,7H,6H2,1H3;1-5H;/t7-;;/m0../s1
InChIKeyOJBOHDSFXRLISZ-KLXURFKVSA-N
XLogP2.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 134898715?
The IUPAC name of CID 134898715 (CID 134898715) is not available.
What is the SMILES notation for CID 134898715?
The canonical SMILES for CID 134898715 is C[C@H]1COC([C]2[CH][CH][CH][CH]2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134898715?
The InChIKey is OJBOHDSFXRLISZ-KLXURFKVSA-N. The full InChI is InChI=1S/C9H10NO.C5H5.Fe/c1-7-6-11-9(10-7)8-4-2-3-5-8;1-2-4-5-3-1;/h2-5,7H,6H2,1H3;1-5H;/t7-;;/m0../s1.
What are the key properties of CID 134898715?
CID 134898715 has a molecular weight of 269.12 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898715 is sourced from PubChem (CID 134898715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).