(1,3-dimethylimidazolidin-2-ylidene)iron

C5H10FeN2 — CID 521071

IUPAC(1,3-dimethylimidazolidin-2-ylidene)iron
SMILESCN1CCN(C)C1=[Fe]
InChIInChI=1S/C5H10N2.Fe/c1-6-3-4-7(2)5-6;/h3-4H2,1-2H3;
InChIKeyDINBUEMJYUQKGJ-UHFFFAOYSA-N
MW153.99 g/mol
LogP-0.50
Rot. Bonds

About (1,3-dimethylimidazolidin-2-ylidene)iron

(1,3-dimethylimidazolidin-2-ylidene)iron (PubChem CID 521071) has the molecular formula C5H10FeN2 and a molecular weight of 153.99 g/mol. Its IUPAC name is (1,3-dimethylimidazolidin-2-ylidene)iron.

Molecular Properties

Compound Name(1,3-dimethylimidazolidin-2-ylidene)iron
PubChem CID521071
Molecular FormulaC5H10FeN2
Molecular Weight153.99 g/mol
Exact Mass154.02
IUPAC Name(1,3-dimethylimidazolidin-2-ylidene)iron
SMILESCN1CCN(C)C1=[Fe]
InChIInChI=1S/C5H10N2.Fe/c1-6-3-4-7(2)5-6;/h3-4H2,1-2H3;
InChIKeyDINBUEMJYUQKGJ-UHFFFAOYSA-N
XLogP-0.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.99
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)iron?
The IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)iron (CID 521071) is (1,3-dimethylimidazolidin-2-ylidene)iron.
What is the SMILES notation for (1,3-dimethylimidazolidin-2-ylidene)iron?
The canonical SMILES for (1,3-dimethylimidazolidin-2-ylidene)iron is CN1CCN(C)C1=[Fe].
What is the InChIKey of (1,3-dimethylimidazolidin-2-ylidene)iron?
The InChIKey is DINBUEMJYUQKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.Fe/c1-6-3-4-7(2)5-6;/h3-4H2,1-2H3;.
What are the key properties of (1,3-dimethylimidazolidin-2-ylidene)iron?
(1,3-dimethylimidazolidin-2-ylidene)iron has a molecular weight of 153.99 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazolidin-2-ylidene)iron is sourced from PubChem (CID 521071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).