cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine

C14H20FeN2-6 — CID 175218138

IUPACcyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine
SMILESCN1CCNC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H10N2.Fe/c2*1-2-4-5-3-1;1-6-3-2-5-4-6;/h2*1-5H;5H,2-4H2,1H3;/q-5;-1;;
InChIKeySDACEUZSQVULOA-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.29
Rot. Bonds

About cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine

cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine (PubChem CID 175218138) has the molecular formula C14H20FeN2-6 and a molecular weight of 272.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine
PubChem CID175218138
Molecular FormulaC14H20FeN2-6
Molecular Weight272.17 g/mol
Exact Mass272.10
IUPAC Namecyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine
SMILESCN1CCNC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H10N2.Fe/c2*1-2-4-5-3-1;1-6-3-2-5-4-6;/h2*1-5H;5H,2-4H2,1H3;/q-5;-1;;
InChIKeySDACEUZSQVULOA-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine?
The IUPAC name of cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine (CID 175218138) is cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine is CN1CCNC1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine?
The InChIKey is SDACEUZSQVULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H10N2.Fe/c2*1-2-4-5-3-1;1-6-3-2-5-4-6;/h2*1-5H;5H,2-4H2,1H3;/q-5;-1;;.
What are the key properties of cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine?
cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine has a molecular weight of 272.17 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine is sourced from PubChem (CID 175218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).