azane;iron;methane;hydrate

CH9FeNO — CID 172815654

IUPACazane;iron;methane;hydrate
SMILESC.N.O.[Fe]
InChIInChI=1S/CH4.Fe.H3N.H2O/h1H4;;1H3;1H2
InChIKeyVZUJQCLBDUDLBV-UHFFFAOYSA-N
MW106.93 g/mol
LogP-0.03
Rot. Bonds

About azane;iron;methane;hydrate

azane;iron;methane;hydrate (PubChem CID 172815654) has the molecular formula CH9FeNO and a molecular weight of 106.93 g/mol. Its IUPAC name is azane;iron;methane;hydrate.

Molecular Properties

Compound Nameazane;iron;methane;hydrate
PubChem CID172815654
Molecular FormulaCH9FeNO
Molecular Weight106.93 g/mol
Exact Mass107.00
IUPAC Nameazane;iron;methane;hydrate
SMILESC.N.O.[Fe]
InChIInChI=1S/CH4.Fe.H3N.H2O/h1H4;;1H3;1H2
InChIKeyVZUJQCLBDUDLBV-UHFFFAOYSA-N
XLogP-0.03
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.93
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
iron;trihydrate
CID 56841934
azane;tetrahydrate
CID 172794729
azane;hydrate
CID 71309179
iron;undecahydrate
CID 42626946
azane;octadecahydrate
CID 174841699
azane;pentahydrate
CID 173288415
azane;methane
CID 139274260
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
methane;dihydrate
CID 139272159

Frequently Asked Questions

What is the IUPAC name of azane;iron;methane;hydrate?
The IUPAC name of azane;iron;methane;hydrate (CID 172815654) is azane;iron;methane;hydrate.
What is the SMILES notation for azane;iron;methane;hydrate?
The canonical SMILES for azane;iron;methane;hydrate is C.N.O.[Fe].
What is the InChIKey of azane;iron;methane;hydrate?
The InChIKey is VZUJQCLBDUDLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.Fe.H3N.H2O/h1H4;;1H3;1H2.
What are the key properties of azane;iron;methane;hydrate?
azane;iron;methane;hydrate has a molecular weight of 106.93 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;iron;methane;hydrate is sourced from PubChem (CID 172815654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).