cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)

C12H15FeN — CID 172687333

IUPACcyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)
SMILESCc1c(N)cc[c-]1C.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H10N.C5H5.Fe/c1-5-3-4-7(8)6(5)2;1-2-4-5-3-1;/h3-4H,8H2,1-2H3;1-5H;/q2*-1;+2
InChIKeyBFDOVLXHIWMNFN-UHFFFAOYSA-N
MW229.10 g/mol
LogP3.01
Rot. Bonds

About cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)

cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+) (PubChem CID 172687333) has the molecular formula C12H15FeN and a molecular weight of 229.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)
PubChem CID172687333
Molecular FormulaC12H15FeN
Molecular Weight229.10 g/mol
Exact Mass229.06
IUPAC Namecyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)
SMILESCc1c(N)cc[c-]1C.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H10N.C5H5.Fe/c1-5-3-4-7(8)6(5)2;1-2-4-5-3-1;/h3-4H,8H2,1-2H3;1-5H;/q2*-1;+2
InChIKeyBFDOVLXHIWMNFN-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);1,2,5-trimethylcyclopenta-1,3-diene;dichloride
CID 159998062
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;silylidenezirconium(2+);dibromide
CID 157432095
cyclopenta-1,3-diene;1,5-dimethylcyclopenta-1,3-diene;methanolate;silylidenezirconium(2+)
CID 158954665
cyclopenta-1,3-diene;cyclopentane;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 11986884
carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 156694793
chromium;cyclopenta-1,3-diene;1,2,3,4,5,6-hexamethylbenzene
CID 624342
bis(cyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane;titanium;hydrate
CID 11986886
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
bis(cyclopenta-1,3-diene);iron(2+);palladium(2+)
CID 175701268
1,2,5-trimethylcyclopenta-1,3-diene;vanadium;trihydrochloride
CID 173257139
bis(1,2,5-trimethylcyclopenta-1,3-diene);vanadium(4+);dichloride
CID 88619957

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+) (CID 172687333) is cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+) is Cc1c(N)cc[c-]1C.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)?
The InChIKey is BFDOVLXHIWMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C5H5.Fe/c1-5-3-4-7(8)6(5)2;1-2-4-5-3-1;/h3-4H,8H2,1-2H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+)?
cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+) has a molecular weight of 229.10 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2,3-dimethylcyclopenta-1,4-dien-1-amine;iron(2+) is sourced from PubChem (CID 172687333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).