cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)

C17H17FeN — CID 139240111

IUPACcyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)
SMILESC[C-]1C=C(N)C=CC1=C1C=CC=C1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C12H12N.C5H5.Fe/c1-9-8-11(13)6-7-12(9)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,13H2,1H3;1-5H;/q2*-1;+2
InChIKeyUAZVNHWAEJGCKV-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.82
Rot. Bonds

About cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)

cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+) (PubChem CID 139240111) has the molecular formula C17H17FeN and a molecular weight of 291.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)
PubChem CID139240111
Molecular FormulaC17H17FeN
Molecular Weight291.18 g/mol
Exact Mass291.07
IUPAC Namecyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)
SMILESC[C-]1C=C(N)C=CC1=C1C=CC=C1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C12H12N.C5H5.Fe/c1-9-8-11(13)6-7-12(9)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,13H2,1H3;1-5H;/q2*-1;+2
InChIKeyUAZVNHWAEJGCKV-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+) (CID 139240111) is cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+) is C[C-]1C=C(N)C=CC1=C1C=CC=C1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)?
The InChIKey is UAZVNHWAEJGCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N.C5H5.Fe/c1-9-8-11(13)6-7-12(9)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,13H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+)?
cyclopenta-1,3-diene;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+) has a molecular weight of 291.18 g/mol, XLogP of 3.82, 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;4-cyclopenta-2,4-dien-1-ylidene-3-methylcyclohexa-1,5-dien-1-amine;iron(2+) is sourced from PubChem (CID 139240111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).