CID 10086306

C16H18FeLiNO+2 — CID 10086306

IUPAC—
SMILESCC(C)[C@H]1COC([C]2[C-][CH][CH][CH]2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Li+]
InChIInChI=1S/C11H13NO.C5H5.Fe.Li/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;1-2-4-5-3-1;;/h3-5,8,10H,7H2,1-2H3;1-5H;;/q-1;;+2;+1/t10-;;;/m1.../s1
InChIKeyMGSROPBMLVMIGZ-FYBBWCNBSA-N
MW303.11 g/mol
LogP-0.26
Rot. Bonds2

About CID 10086306

CID 10086306 (PubChem CID 10086306) has the molecular formula C16H18FeLiNO+2 and a molecular weight of 303.11 g/mol.

Molecular Properties

Compound NameCID 10086306
PubChem CID10086306
Molecular FormulaC16H18FeLiNO+2
Molecular Weight303.11 g/mol
Exact Mass303.09
IUPAC Name—
SMILESCC(C)[C@H]1COC([C]2[C-][CH][CH][CH]2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Li+]
InChIInChI=1S/C11H13NO.C5H5.Fe.Li/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;1-2-4-5-3-1;;/h3-5,8,10H,7H2,1-2H3;1-5H;;/q-1;;+2;+1/t10-;;;/m1.../s1
InChIKeyMGSROPBMLVMIGZ-FYBBWCNBSA-N
XLogP-0.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 10086306 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10086306?
The IUPAC name of CID 10086306 (CID 10086306) is not available.
What is the SMILES notation for CID 10086306?
The canonical SMILES for CID 10086306 is CC(C)[C@H]1COC([C]2[C-][CH][CH][CH]2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Li+].
What is the InChIKey of CID 10086306?
The InChIKey is MGSROPBMLVMIGZ-FYBBWCNBSA-N. The full InChI is InChI=1S/C11H13NO.C5H5.Fe.Li/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;1-2-4-5-3-1;;/h3-5,8,10H,7H2,1-2H3;1-5H;;/q-1;;+2;+1/t10-;;;/m1.../s1.
What are the key properties of CID 10086306?
CID 10086306 has a molecular weight of 303.11 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10086306 is sourced from PubChem (CID 10086306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).