carbanide;cyclopenta-1,3-diene;iron(3+)

C7H11Fe — CID 139939973

IUPACcarbanide;cyclopenta-1,3-diene;iron(3+)
SMILES[CH3-].[CH3-].[Fe+3].c1cc[cH-]c1
InChIInChI=1S/C5H5.2CH3.Fe/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/q3*-1;+3
InChIKeyDZVGODYWWISEGM-UHFFFAOYSA-N
MW151.01 g/mol
LogP2.30
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;iron(3+)

carbanide;cyclopenta-1,3-diene;iron(3+) (PubChem CID 139939973) has the molecular formula C7H11Fe and a molecular weight of 151.01 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;iron(3+).

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;iron(3+)
PubChem CID139939973
Molecular FormulaC7H11Fe
Molecular Weight151.01 g/mol
Exact Mass151.02
IUPAC Namecarbanide;cyclopenta-1,3-diene;iron(3+)
SMILES[CH3-].[CH3-].[Fe+3].c1cc[cH-]c1
InChIInChI=1S/C5H5.2CH3.Fe/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/q3*-1;+3
InChIKeyDZVGODYWWISEGM-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.01
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;iron(3+)?
The IUPAC name of carbanide;cyclopenta-1,3-diene;iron(3+) (CID 139939973) is carbanide;cyclopenta-1,3-diene;iron(3+).
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;iron(3+)?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;iron(3+) is [CH3-].[CH3-].[Fe+3].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;iron(3+)?
The InChIKey is DZVGODYWWISEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CH3.Fe/c1-2-4-5-3-1;;;/h1-5H;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;cyclopenta-1,3-diene;iron(3+)?
carbanide;cyclopenta-1,3-diene;iron(3+) has a molecular weight of 151.01 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;iron(3+) is sourced from PubChem (CID 139939973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).