N-(Ferrocenyl)maleimide

C14H11FeNO2 — CID 71774911

IUPAC—
SMILESO=C1C=CC(=O)N1C1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C9H6NO2.C5H5.Fe/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;
InChIKeyNPRQOGNZONJGOQ-UHFFFAOYSA-N
MW281.09 g/mol
LogP1.88
Rot. Bonds1

About N-(Ferrocenyl)maleimide

N-(Ferrocenyl)maleimide (PubChem CID 71774911) has the molecular formula C14H11FeNO2 and a molecular weight of 281.09 g/mol.

Molecular Properties

Compound NameN-(Ferrocenyl)maleimide
PubChem CID71774911
Molecular FormulaC14H11FeNO2
Molecular Weight281.09 g/mol
Exact Mass281.01
IUPAC Name—
SMILESO=C1C=CC(=O)N1C1=CC=C[CH]1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/C9H6NO2.C5H5.Fe/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;
InChIKeyNPRQOGNZONJGOQ-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(Ferrocenyl)maleimide?
The IUPAC name of N-(Ferrocenyl)maleimide (CID 71774911) is not available.
What is the SMILES notation for N-(Ferrocenyl)maleimide?
The canonical SMILES for N-(Ferrocenyl)maleimide is O=C1C=CC(=O)N1C1=CC=C[CH]1.[CH]1C=CC=C1.[Fe].
What is the InChIKey of N-(Ferrocenyl)maleimide?
The InChIKey is NPRQOGNZONJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO2.C5H5.Fe/c11-8-5-6-9(12)10(8)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;.
What are the key properties of N-(Ferrocenyl)maleimide?
N-(Ferrocenyl)maleimide has a molecular weight of 281.09 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(Ferrocenyl)maleimide is sourced from PubChem (CID 71774911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).