cobalt;cyclopenta-1,3-diene;ethene

C9H13Co- — CID 173205523

IUPACcobalt;cyclopenta-1,3-diene;ethene
SMILESC=C.C=C.[C-]1=CC=CC1.[Co]
InChIInChI=1S/C5H5.2C2H4.Co/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1-2H2;/q-1;;;
InChIKeyXPJXNJBKZCBNJQ-UHFFFAOYSA-N
MW180.14 g/mol
LogP2.91
Rot. Bonds

About cobalt;cyclopenta-1,3-diene;ethene

cobalt;cyclopenta-1,3-diene;ethene (PubChem CID 173205523) has the molecular formula C9H13Co- and a molecular weight of 180.14 g/mol. Its IUPAC name is cobalt;cyclopenta-1,3-diene;ethene.

Molecular Properties

Compound Namecobalt;cyclopenta-1,3-diene;ethene
PubChem CID173205523
Molecular FormulaC9H13Co-
Molecular Weight180.14 g/mol
Exact Mass180.04
IUPAC Namecobalt;cyclopenta-1,3-diene;ethene
SMILESC=C.C=C.[C-]1=CC=CC1.[Co]
InChIInChI=1S/C5H5.2C2H4.Co/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1-2H2;/q-1;;;
InChIKeyXPJXNJBKZCBNJQ-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
bis(cyclopenta-1,3-diene);ethene;hydride;zirconium(4+)
CID 159943507
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
strontium bis(cyclopenta-1,3-diene)
CID 14513562
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
cyclopenta-1,3-diene;formaldehyde;iron
CID 87235438
chromium;cyclopenta-1,3-diene;formaldehyde
CID 88762520
bis(cyclopenta-1,3-diene);hydride;methylidenezirconium(2+)
CID 173290010
cyclopenta-1,3-diene;formaldehyde;tungsten
CID 88762361

Frequently Asked Questions

What is the IUPAC name of cobalt;cyclopenta-1,3-diene;ethene?
The IUPAC name of cobalt;cyclopenta-1,3-diene;ethene (CID 173205523) is cobalt;cyclopenta-1,3-diene;ethene.
What is the SMILES notation for cobalt;cyclopenta-1,3-diene;ethene?
The canonical SMILES for cobalt;cyclopenta-1,3-diene;ethene is C=C.C=C.[C-]1=CC=CC1.[Co].
What is the InChIKey of cobalt;cyclopenta-1,3-diene;ethene?
The InChIKey is XPJXNJBKZCBNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C2H4.Co/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1-2H2;/q-1;;;.
What are the key properties of cobalt;cyclopenta-1,3-diene;ethene?
cobalt;cyclopenta-1,3-diene;ethene has a molecular weight of 180.14 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;cyclopenta-1,3-diene;ethene is sourced from PubChem (CID 173205523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).