2-prop-1-enylcyclopenta-1,3-diene;zirconium

C8H9Zr- — CID 173351631

IUPAC2-prop-1-enylcyclopenta-1,3-diene;zirconium
SMILESCC=CC1=CC[C-]=C1.[Zr]
InChIInChI=1S/C8H9.Zr/c1-2-5-8-6-3-4-7-8;/h2,5-7H,3H2,1H3;/q-1;
InChIKeyBJQSPSAYOTXJFE-UHFFFAOYSA-N
MW196.38 g/mol
LogP2.25
Rot. Bonds1

About 2-prop-1-enylcyclopenta-1,3-diene;zirconium

2-prop-1-enylcyclopenta-1,3-diene;zirconium (PubChem CID 173351631) has the molecular formula C8H9Zr- and a molecular weight of 196.38 g/mol. Its IUPAC name is 2-prop-1-enylcyclopenta-1,3-diene;zirconium.

Molecular Properties

Compound Name2-prop-1-enylcyclopenta-1,3-diene;zirconium
PubChem CID173351631
Molecular FormulaC8H9Zr-
Molecular Weight196.38 g/mol
Exact Mass194.98
IUPAC Name2-prop-1-enylcyclopenta-1,3-diene;zirconium
SMILESCC=CC1=CC[C-]=C1.[Zr]
InChIInChI=1S/C8H9.Zr/c1-2-5-8-6-3-4-7-8;/h2,5-7H,3H2,1H3;/q-1;
InChIKeyBJQSPSAYOTXJFE-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enylcyclopenta-1,3-diene;zirconium?
The IUPAC name of 2-prop-1-enylcyclopenta-1,3-diene;zirconium (CID 173351631) is 2-prop-1-enylcyclopenta-1,3-diene;zirconium.
What is the SMILES notation for 2-prop-1-enylcyclopenta-1,3-diene;zirconium?
The canonical SMILES for 2-prop-1-enylcyclopenta-1,3-diene;zirconium is CC=CC1=CC[C-]=C1.[Zr].
What is the InChIKey of 2-prop-1-enylcyclopenta-1,3-diene;zirconium?
The InChIKey is BJQSPSAYOTXJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.Zr/c1-2-5-8-6-3-4-7-8;/h2,5-7H,3H2,1H3;/q-1;.
What are the key properties of 2-prop-1-enylcyclopenta-1,3-diene;zirconium?
2-prop-1-enylcyclopenta-1,3-diene;zirconium has a molecular weight of 196.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enylcyclopenta-1,3-diene;zirconium is sourced from PubChem (CID 173351631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).