cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene

C14H16Fe-6 — CID 175459313

IUPACcyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene
SMILESC=C(C)C[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H11.C5H5.Fe/c1-8(2)7-9-5-3-4-6-9;1-2-4-5-3-1;/h3-6H,1,7H2,2H3;1-5H;/q-1;-5;
InChIKeyXGUVASFDIXAVEV-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.93
Rot. Bonds2

About cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene

cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene (PubChem CID 175459313) has the molecular formula C14H16Fe-6 and a molecular weight of 240.13 g/mol. Its IUPAC name is cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene
PubChem CID175459313
Molecular FormulaC14H16Fe-6
Molecular Weight240.13 g/mol
Exact Mass240.06
IUPAC Namecyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene
SMILESC=C(C)C[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C9H11.C5H5.Fe/c1-8(2)7-9-5-3-4-6-9;1-2-4-5-3-1;/h3-6H,1,7H2,2H3;1-5H;/q-1;-5;
InChIKeyXGUVASFDIXAVEV-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron
CID 173174965
cyclopentane;iron;5-methylcyclopenta-1,3-diene;trimethylsilane
CID 174670770
cyclopentane;iron;5-penta-2,4-dien-2-ylcyclopenta-1,3-diene
CID 173282363
2-cyclopenta-2,4-dien-1-yl-N,N-di(propan-2-yl)prop-2-en-1-amine;cyclopentane;iron
CID 175105040
4-cyclopenta-2,4-dien-1-ylbutane-1,2-diol;cyclopentane;iron
CID 11987910
2-cyclopenta-2,4-dien-1-ylpropan-2-ol;cyclopentane;iron
CID 87578693
1-cyclopenta-2,4-dien-1-yl-2,2-dimethylpropan-1-one;cyclopentane;iron
CID 174262271
(2R)-2-amino-3-sulfanylpropanoic acid;1-cyclopenta-2,4-dien-1-ylethanone;cyclopentane;iron
CID 175196507
cyclopenta-2,4-dien-1-ylphosphonic acid;cyclopentane;iron
CID 174402922
cyclopenta-1,3-diene;cyclopentane;iron;methanol;2-methylprop-2-enoic acid
CID 174931788
4-cyclopenta-2,4-dien-1-yl-2-methyl-4-oxobutanoic acid;cyclopentane;iron
CID 88825601
bis(5-propylcyclopenta-1,3-diene);titanium(2+)
CID 154426293

Frequently Asked Questions

What is the IUPAC name of cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
The IUPAC name of cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene (CID 175459313) is cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene.
What is the SMILES notation for cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
The canonical SMILES for cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene is C=C(C)C[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
The InChIKey is XGUVASFDIXAVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.C5H5.Fe/c1-8(2)7-9-5-3-4-6-9;1-2-4-5-3-1;/h3-6H,1,7H2,2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene?
cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene has a molecular weight of 240.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;iron;5-(2-methylprop-2-enyl)cyclopenta-1,3-diene is sourced from PubChem (CID 175459313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).