5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)

C12H12FeIN3 — CID 139251617

IUPAC5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESC[C@H](N=[N+]=[N-])[c-]1cccc1I.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H7IN3.C5H5.Fe/c1-5(10-11-9)6-3-2-4-7(6)8;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2/t5-;;/m0../s1
InChIKeyZPDWLIJZYNNEHD-XRIGFGBMSA-N
MW381.00 g/mol
LogP4.78
Rot. Bonds2

About 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)

5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (PubChem CID 139251617) has the molecular formula C12H12FeIN3 and a molecular weight of 381.00 g/mol. Its IUPAC name is 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).

Molecular Properties

Compound Name5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
PubChem CID139251617
Molecular FormulaC12H12FeIN3
Molecular Weight381.00 g/mol
Exact Mass380.94
IUPAC Name5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
SMILESC[C@H](N=[N+]=[N-])[c-]1cccc1I.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C7H7IN3.C5H5.Fe/c1-5(10-11-9)6-3-2-4-7(6)8;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2/t5-;;/m0../s1
InChIKeyZPDWLIJZYNNEHD-XRIGFGBMSA-N
XLogP4.78
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.00
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;(1S)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 131726978
cyclopenta-1,3-diene;5-iodo-N,N-dimethylcyclopenta-1,3-dien-1-amine;iron(2+)
CID 131729052
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
CID 174912786
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CID 131049282
[(1R,2R)-1,2-diazidopropyl]benzene
CID 153288330
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanol;iron(2+)
CID 15242028
azido(phenyl)methanol
CID 59611949
4-[(1R)-1-azidoethyl]-N,N-dimethylaniline
CID 104853510
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
cyclopenta-1,3-diene;iron(2+);N-propan-2-ylcyclopenta-1,3-dien-1-amine
CID 172826783
(2R)-1-azido-1-phenylpropan-2-amine
CID 118411737

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The IUPAC name of 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) (CID 139251617) is 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+).
What is the SMILES notation for 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The canonical SMILES for 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is C[C@H](N=[N+]=[N-])[c-]1cccc1I.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
The InChIKey is ZPDWLIJZYNNEHD-XRIGFGBMSA-N. The full InChI is InChI=1S/C7H7IN3.C5H5.Fe/c1-5(10-11-9)6-3-2-4-7(6)8;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2/t5-;;/m0../s1.
What are the key properties of 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)?
5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) has a molecular weight of 381.00 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-azidoethyl]-1-iodocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+) is sourced from PubChem (CID 139251617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).