cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride

C12H14ClFeNO2-6 — CID 91654880

IUPACcyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride
SMILESCOC(=O)[c-]1cccc1.Cl.N[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C7H7O2.C5H6N.ClH.Fe/c1-9-7(8)6-4-2-3-5-6;6-5-3-1-2-4-5;;/h2-5H,1H3;1-4H,6H2;1H;/q-1;-5;;
InChIKeyHNPAVUHVKIHEPD-UHFFFAOYSA-N
MW295.55 g/mol
LogP2.60
Rot. Bonds1

About cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride

cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride (PubChem CID 91654880) has the molecular formula C12H14ClFeNO2-6 and a molecular weight of 295.55 g/mol. Its IUPAC name is cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride
PubChem CID91654880
Molecular FormulaC12H14ClFeNO2-6
Molecular Weight295.55 g/mol
Exact Mass295.01
IUPAC Namecyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride
SMILESCOC(=O)[c-]1cccc1.Cl.N[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C7H7O2.C5H6N.ClH.Fe/c1-9-7(8)6-4-2-3-5-6;6-5-3-1-2-4-5;;/h2-5H,1H3;1-4H,6H2;1H;/q-1;-5;;
InChIKeyHNPAVUHVKIHEPD-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2,4-diene-1-carboxylic acid;iron;methyl cyclopenta-2,4-diene-1-carboxylate
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CID 174812468
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CID 174742914
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CID 62969639
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CID 11984623
cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene
CID 173282363
2-cyclopenta-2,4-dien-1-ylethanol;2-cyclopentylethanol;iron
CID 174962215
methyl (2S,3S)-2-methyl-3-(2-trimethylsilylphenyl)sulfanylbutanoate
CID 11109246
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CID 66905089
benzene;methyl acetate;hydroiodide
CID 174288307

Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride?
The IUPAC name of cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride (CID 91654880) is cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride.
What is the SMILES notation for cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride?
The canonical SMILES for cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride is COC(=O)[c-]1cccc1.Cl.N[c-]1[cH-][cH-][cH-][cH-]1.[Fe].
What is the InChIKey of cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride?
The InChIKey is HNPAVUHVKIHEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2.C5H6N.ClH.Fe/c1-9-7(8)6-4-2-3-5-6;6-5-3-1-2-4-5;;/h2-5H,1H3;1-4H,6H2;1H;/q-1;-5;;.
What are the key properties of cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride?
cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride has a molecular weight of 295.55 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;iron;methyl cyclopenta-2,4-diene-1-carboxylate;hydrochloride is sourced from PubChem (CID 91654880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).