ethanamine;phenol;vanadium(2+)

C8H11NOV — CID 59910462

IUPACethanamine;phenol;vanadium(2+)
SMILESOc1cc[c-]cc1.[CH2-]CN.[V+2]
InChIInChI=1S/C6H5O.C2H6N.V/c7-6-4-2-1-3-5-6;1-2-3;/h2-5,7H;1-3H2;/q2*-1;+2
InChIKeyFCETVAYWLGWRME-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.97
Rot. Bonds

About ethanamine;phenol;vanadium(2+)

ethanamine;phenol;vanadium(2+) (PubChem CID 59910462) has the molecular formula C8H11NOV and a molecular weight of 188.13 g/mol. Its IUPAC name is ethanamine;phenol;vanadium(2+).

Molecular Properties

Compound Nameethanamine;phenol;vanadium(2+)
PubChem CID59910462
Molecular FormulaC8H11NOV
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Nameethanamine;phenol;vanadium(2+)
SMILESOc1cc[c-]cc1.[CH2-]CN.[V+2]
InChIInChI=1S/C6H5O.C2H6N.V/c7-6-4-2-1-3-5-6;1-2-3;/h2-5,7H;1-3H2;/q2*-1;+2
InChIKeyFCETVAYWLGWRME-UHFFFAOYSA-N
XLogP0.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 ethanamine;phenol;vanadium(2+)?
The IUPAC name of ethanamine;phenol;vanadium(2+) (CID 59910462) is ethanamine;phenol;vanadium(2+).
What is the SMILES notation for ethanamine;phenol;vanadium(2+)?
The canonical SMILES for ethanamine;phenol;vanadium(2+) is Oc1cc[c-]cc1.[CH2-]CN.[V+2].
What is the InChIKey of ethanamine;phenol;vanadium(2+)?
The InChIKey is FCETVAYWLGWRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O.C2H6N.V/c7-6-4-2-1-3-5-6;1-2-3;/h2-5,7H;1-3H2;/q2*-1;+2.
What are the key properties of ethanamine;phenol;vanadium(2+)?
ethanamine;phenol;vanadium(2+) has a molecular weight of 188.13 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;phenol;vanadium(2+) is sourced from PubChem (CID 59910462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).