bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium

C12H14N2O2V — CID 87194909

IUPACbis(6-iminocyclohexa-1,3-dien-1-ol);vanadium
SMILES[H]/N=C1\CC=CC=C1O.[H]/N=C1\CC=CC=C1O.[V]
InChIInChI=1S/2C6H7NO.V/c2*7-5-3-1-2-4-6(5)8;/h2*1-2,4,7-8H,3H2;/b2*7-5+;
InChIKeySORCRIPFFNCPNN-XXXYRMOLSA-N
MW269.20 g/mol
LogP2.81
Rot. Bonds

About bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium

bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium (PubChem CID 87194909) has the molecular formula C12H14N2O2V and a molecular weight of 269.20 g/mol. Its IUPAC name is bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium.

Molecular Properties

Compound Namebis(6-iminocyclohexa-1,3-dien-1-ol);vanadium
PubChem CID87194909
Molecular FormulaC12H14N2O2V
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Namebis(6-iminocyclohexa-1,3-dien-1-ol);vanadium
SMILES[H]/N=C1\CC=CC=C1O.[H]/N=C1\CC=CC=C1O.[V]
InChIInChI=1S/2C6H7NO.V/c2*7-5-3-1-2-4-6(5)8;/h2*1-2,4,7-8H,3H2;/b2*7-5+;
InChIKeySORCRIPFFNCPNN-XXXYRMOLSA-N
XLogP2.81
TPSA88.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium?
The IUPAC name of bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium (CID 87194909) is bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium.
What is the SMILES notation for bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium?
The canonical SMILES for bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium is [H]/N=C1\CC=CC=C1O.[H]/N=C1\CC=CC=C1O.[V].
What is the InChIKey of bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium?
The InChIKey is SORCRIPFFNCPNN-XXXYRMOLSA-N. The full InChI is InChI=1S/2C6H7NO.V/c2*7-5-3-1-2-4-6(5)8;/h2*1-2,4,7-8H,3H2;/b2*7-5+;.
What are the key properties of bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium?
bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium has a molecular weight of 269.20 g/mol, XLogP of 2.81, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-iminocyclohexa-1,3-dien-1-ol);vanadium is sourced from PubChem (CID 87194909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).