CID 10925907

C18H26FeN2O+2 — CID 10925907

IUPAC—
SMILESCOC[C@@H]1CCCN1N[C@H](C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C13H21N2O.C5H5.Fe/c1-11(12-6-3-4-7-12)14-15-9-5-8-13(15)10-16-2;1-2-4-5-3-1;/h3-4,6-7,11,13-14H,5,8-10H2,1-2H3;1-5H;/q;;+2/t11-,13+;;/m1../s1
InChIKeyWCQIBZMKWMAFOH-FZIZHOOBSA-N
MW342.26 g/mol
LogP2.41
Rot. Bonds5

About CID 10925907

CID 10925907 (PubChem CID 10925907) has the molecular formula C18H26FeN2O+2 and a molecular weight of 342.26 g/mol.

Molecular Properties

Compound NameCID 10925907
PubChem CID10925907
Molecular FormulaC18H26FeN2O+2
Molecular Weight342.26 g/mol
Exact Mass342.14
IUPAC Name—
SMILESCOC[C@@H]1CCCN1N[C@H](C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C13H21N2O.C5H5.Fe/c1-11(12-6-3-4-7-12)14-15-9-5-8-13(15)10-16-2;1-2-4-5-3-1;/h3-4,6-7,11,13-14H,5,8-10H2,1-2H3;1-5H;/q;;+2/t11-,13+;;/m1../s1
InChIKeyWCQIBZMKWMAFOH-FZIZHOOBSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 10925907?
The IUPAC name of CID 10925907 (CID 10925907) is not available.
What is the SMILES notation for CID 10925907?
The canonical SMILES for CID 10925907 is COC[C@@H]1CCCN1N[C@H](C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10925907?
The InChIKey is WCQIBZMKWMAFOH-FZIZHOOBSA-N. The full InChI is InChI=1S/C13H21N2O.C5H5.Fe/c1-11(12-6-3-4-7-12)14-15-9-5-8-13(15)10-16-2;1-2-4-5-3-1;/h3-4,6-7,11,13-14H,5,8-10H2,1-2H3;1-5H;/q;;+2/t11-,13+;;/m1../s1.
What are the key properties of CID 10925907?
CID 10925907 has a molecular weight of 342.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10925907 is sourced from PubChem (CID 10925907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).