oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide

C16H16BrNO2V — CID 135967319

IUPACoxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
SMILESBr.O=[V].Oc1cc2c(cc1/C=N/c1ccccc1)CCC2
InChIInChI=1S/C16H15NO.BrH.O.V/c18-16-10-13-6-4-5-12(13)9-14(16)11-17-15-7-2-1-3-8-15;;;/h1-3,7-11,18H,4-6H2;1H;;/b17-11+;;;
InChIKeyMTJDPJALCHOXNY-IPPFNBFJSA-N
MW385.16 g/mol
LogP4.09
Rot. Bonds2

About oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide

oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide (PubChem CID 135967319) has the molecular formula C16H16BrNO2V and a molecular weight of 385.16 g/mol. Its IUPAC name is oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide.

Molecular Properties

Compound Nameoxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
PubChem CID135967319
Molecular FormulaC16H16BrNO2V
Molecular Weight385.16 g/mol
Exact Mass383.98
IUPAC Nameoxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
SMILESBr.O=[V].Oc1cc2c(cc1/C=N/c1ccccc1)CCC2
InChIInChI=1S/C16H15NO.BrH.O.V/c18-16-10-13-6-4-5-12(13)9-14(16)11-17-15-7-2-1-3-8-15;;;/h1-3,7-11,18H,4-6H2;1H;;/b17-11+;;;
InChIKeyMTJDPJALCHOXNY-IPPFNBFJSA-N
XLogP4.09
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
The IUPAC name of oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide (CID 135967319) is oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide.
What is the SMILES notation for oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
The canonical SMILES for oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide is Br.O=[V].Oc1cc2c(cc1/C=N/c1ccccc1)CCC2.
What is the InChIKey of oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
The InChIKey is MTJDPJALCHOXNY-IPPFNBFJSA-N. The full InChI is InChI=1S/C16H15NO.BrH.O.V/c18-16-10-13-6-4-5-12(13)9-14(16)11-17-15-7-2-1-3-8-15;;;/h1-3,7-11,18H,4-6H2;1H;;/b17-11+;;;.
What are the key properties of oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide?
oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide has a molecular weight of 385.16 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide is sourced from PubChem (CID 135967319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).