benzylazanide;carbanide;iron(4+);methanone

C10H13FeNO2 — CID 134862118

IUPACbenzylazanide;carbanide;iron(4+);methanone
SMILES[CH-]=O.[CH-]=O.[CH3-].[Fe+4].[NH-]Cc1ccccc1
InChIInChI=1S/C7H8N.2CHO.CH3.Fe/c8-6-7-4-2-1-3-5-7;2*1-2;;/h1-5,8H,6H2;2*1H;1H3;/q4*-1;+4
InChIKeyWYBKLVHSRBYELD-UHFFFAOYSA-N
MW235.06 g/mol
LogP2.14
Rot. Bonds1

About benzylazanide;carbanide;iron(4+);methanone

benzylazanide;carbanide;iron(4+);methanone (PubChem CID 134862118) has the molecular formula C10H13FeNO2 and a molecular weight of 235.06 g/mol. Its IUPAC name is benzylazanide;carbanide;iron(4+);methanone.

Molecular Properties

Compound Namebenzylazanide;carbanide;iron(4+);methanone
PubChem CID134862118
Molecular FormulaC10H13FeNO2
Molecular Weight235.06 g/mol
Exact Mass235.03
IUPAC Namebenzylazanide;carbanide;iron(4+);methanone
SMILES[CH-]=O.[CH-]=O.[CH3-].[Fe+4].[NH-]Cc1ccccc1
InChIInChI=1S/C7H8N.2CHO.CH3.Fe/c8-6-7-4-2-1-3-5-7;2*1-2;;/h1-5,8H,6H2;2*1H;1H3;/q4*-1;+4
InChIKeyWYBKLVHSRBYELD-UHFFFAOYSA-N
XLogP2.14
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 benzylazanide;carbanide;iron(4+);methanone?
The IUPAC name of benzylazanide;carbanide;iron(4+);methanone (CID 134862118) is benzylazanide;carbanide;iron(4+);methanone.
What is the SMILES notation for benzylazanide;carbanide;iron(4+);methanone?
The canonical SMILES for benzylazanide;carbanide;iron(4+);methanone is [CH-]=O.[CH-]=O.[CH3-].[Fe+4].[NH-]Cc1ccccc1.
What is the InChIKey of benzylazanide;carbanide;iron(4+);methanone?
The InChIKey is WYBKLVHSRBYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.2CHO.CH3.Fe/c8-6-7-4-2-1-3-5-7;2*1-2;;/h1-5,8H,6H2;2*1H;1H3;/q4*-1;+4.
What are the key properties of benzylazanide;carbanide;iron(4+);methanone?
benzylazanide;carbanide;iron(4+);methanone has a molecular weight of 235.06 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylazanide;carbanide;iron(4+);methanone is sourced from PubChem (CID 134862118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).