cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)

C15H14FeN2O — CID 162787673

IUPACcyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)
SMILESCOc1cncc(-c2ccc[cH-]2)n1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C10H9N2O.C5H5.Fe/c1-13-10-7-11-6-9(12-10)8-4-2-3-5-8;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;+2
InChIKeyVXPHUFZLZOBCEO-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.27
Rot. Bonds2

About cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)

cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+) (PubChem CID 162787673) has the molecular formula C15H14FeN2O and a molecular weight of 294.14 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)
PubChem CID162787673
Molecular FormulaC15H14FeN2O
Molecular Weight294.14 g/mol
Exact Mass294.05
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)
SMILESCOc1cncc(-c2ccc[cH-]2)n1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C10H9N2O.C5H5.Fe/c1-13-10-7-11-6-9(12-10)8-4-2-3-5-8;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;+2
InChIKeyVXPHUFZLZOBCEO-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+) with MolForge

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Related Compounds

2-methoxy-6-(2-methoxyphenyl)pyrazine
CID 135043154
2-methoxy-6-pyridin-2-ylpyrazine
CID 173254815
2-(2,3-dichlorophenyl)-6-methoxypyrazine
CID 160525380
2-methoxy-6-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)pyrazine
CID 95931444
2-methoxy-6-(1H-pyrazol-4-yl)pyrazine
CID 139343527
2-methoxy-6-[3-(6-methoxypyrazin-2-yl)-1H-1,2,4-triazol-5-yl]pyrazine
CID 71593361
2-fluoro-4-(6-methoxypyrazin-2-yl)aniline
CID 139503395
2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
CID 135293576
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961
2-methoxypyrido[3,4-b]pyrazine
CID 118866436
2-methoxy-6-(4-methylcyclohexen-1-yl)pyrazine
CID 134466079
6-methoxy-N-methylpyrazin-2-amine;hydrochloride
CID 162308238

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+) (CID 162787673) is cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+) is COc1cncc(-c2ccc[cH-]2)n1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)?
The InChIKey is VXPHUFZLZOBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O.C5H5.Fe/c1-13-10-7-11-6-9(12-10)8-4-2-3-5-8;1-2-4-5-3-1;/h2-7H,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+)?
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+) has a molecular weight of 294.14 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-yl-6-methoxypyrazine;iron(2+) is sourced from PubChem (CID 162787673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).