rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine

C10H11NORe — CID 166475473

IUPACrhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine
SMILESO/N=C1\C=CC2C3C=CC(C3)C12.[Re]
InChIInChI=1S/C10H11NO.Re/c12-11-9-4-3-8-6-1-2-7(5-6)10(8)9;/h1-4,6-8,10,12H,5H2;/b11-9+;
InChIKeyOQCCDFGARHMMLN-LBEJWNQZSA-N
MW347.41 g/mol
LogP1.82
Rot. Bonds

About rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine

rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine (PubChem CID 166475473) has the molecular formula C10H11NORe and a molecular weight of 347.41 g/mol. Its IUPAC name is rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine.

Molecular Properties

Compound Namerhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine
PubChem CID166475473
Molecular FormulaC10H11NORe
Molecular Weight347.41 g/mol
Exact Mass348.04
IUPAC Namerhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine
SMILESO/N=C1\C=CC2C3C=CC(C3)C12.[Re]
InChIInChI=1S/C10H11NO.Re/c12-11-9-4-3-8-6-1-2-7(5-6)10(8)9;/h1-4,6-8,10,12H,5H2;/b11-9+;
InChIKeyOQCCDFGARHMMLN-LBEJWNQZSA-N
XLogP1.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine?
The IUPAC name of rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine (CID 166475473) is rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine.
What is the SMILES notation for rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine?
The canonical SMILES for rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine is O/N=C1\C=CC2C3C=CC(C3)C12.[Re].
What is the InChIKey of rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine?
The InChIKey is OQCCDFGARHMMLN-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H11NO.Re/c12-11-9-4-3-8-6-1-2-7(5-6)10(8)9;/h1-4,6-8,10,12H,5H2;/b11-9+;.
What are the key properties of rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine?
rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine has a molecular weight of 347.41 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for rhenium;(NE)-N-(3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine is sourced from PubChem (CID 166475473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).