6-iminocyclohexa-1,3-dien-1-ol;zirconium

C6H7NOZr — CID 87078296

IUPAC6-iminocyclohexa-1,3-dien-1-ol;zirconium
SMILES[H]/N=C1\CC=CC=C1O.[Zr]
InChIInChI=1S/C6H7NO.Zr/c7-5-3-1-2-4-6(5)8;/h1-2,4,7-8H,3H2;/b7-5+;
InChIKeyUEWICQVVPOWBLG-GZOLSCHFSA-N
MW200.35 g/mol
LogP1.41
Rot. Bonds

About 6-iminocyclohexa-1,3-dien-1-ol;zirconium

6-iminocyclohexa-1,3-dien-1-ol;zirconium (PubChem CID 87078296) has the molecular formula C6H7NOZr and a molecular weight of 200.35 g/mol. Its IUPAC name is 6-iminocyclohexa-1,3-dien-1-ol;zirconium.

Molecular Properties

Compound Name6-iminocyclohexa-1,3-dien-1-ol;zirconium
PubChem CID87078296
Molecular FormulaC6H7NOZr
Molecular Weight200.35 g/mol
Exact Mass198.96
IUPAC Name6-iminocyclohexa-1,3-dien-1-ol;zirconium
SMILES[H]/N=C1\CC=CC=C1O.[Zr]
InChIInChI=1S/C6H7NO.Zr/c7-5-3-1-2-4-6(5)8;/h1-2,4,7-8H,3H2;/b7-5+;
InChIKeyUEWICQVVPOWBLG-GZOLSCHFSA-N
XLogP1.41
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iminocyclohexa-1,3-dien-1-ol;zirconium?
The IUPAC name of 6-iminocyclohexa-1,3-dien-1-ol;zirconium (CID 87078296) is 6-iminocyclohexa-1,3-dien-1-ol;zirconium.
What is the SMILES notation for 6-iminocyclohexa-1,3-dien-1-ol;zirconium?
The canonical SMILES for 6-iminocyclohexa-1,3-dien-1-ol;zirconium is [H]/N=C1\CC=CC=C1O.[Zr].
What is the InChIKey of 6-iminocyclohexa-1,3-dien-1-ol;zirconium?
The InChIKey is UEWICQVVPOWBLG-GZOLSCHFSA-N. The full InChI is InChI=1S/C6H7NO.Zr/c7-5-3-1-2-4-6(5)8;/h1-2,4,7-8H,3H2;/b7-5+;.
What are the key properties of 6-iminocyclohexa-1,3-dien-1-ol;zirconium?
6-iminocyclohexa-1,3-dien-1-ol;zirconium has a molecular weight of 200.35 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminocyclohexa-1,3-dien-1-ol;zirconium is sourced from PubChem (CID 87078296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).