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

C10H10ClNORe — CID 166475451

IUPAC(NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium
SMILESO/N=C1\C(Cl)=CC2C3C=CC(C3)C12.[Re]
InChIInChI=1S/C10H10ClNO.Re/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12-13;/h1-2,4-7,9,13H,3H2;/b12-10+;
InChIKeyNBNIGMOCAQODMC-VHPXAQPISA-N
MW381.86 g/mol
LogP2.39
Rot. Bonds

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

(NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium (PubChem CID 166475451) has the molecular formula C10H10ClNORe and a molecular weight of 381.86 g/mol. Its IUPAC name is (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium.

Molecular Properties

Compound Name(NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium
PubChem CID166475451
Molecular FormulaC10H10ClNORe
Molecular Weight381.86 g/mol
Exact Mass382.00
IUPAC Name(NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium
SMILESO/N=C1\C(Cl)=CC2C3C=CC(C3)C12.[Re]
InChIInChI=1S/C10H10ClNO.Re/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12-13;/h1-2,4-7,9,13H,3H2;/b12-10+;
InChIKeyNBNIGMOCAQODMC-VHPXAQPISA-N
XLogP2.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.39
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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium?
The IUPAC name of (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium (CID 166475451) is (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium.
What is the SMILES notation for (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium?
The canonical SMILES for (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium is O/N=C1\C(Cl)=CC2C3C=CC(C3)C12.[Re].
What is the InChIKey of (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium?
The InChIKey is NBNIGMOCAQODMC-VHPXAQPISA-N. The full InChI is InChI=1S/C10H10ClNO.Re/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12-13;/h1-2,4-7,9,13H,3H2;/b12-10+;.
What are the key properties of (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium?
(NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium has a molecular weight of 381.86 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-chloro-3-tricyclo[5.2.1.02,6]deca-4,8-dienylidene)hydroxylamine;rhenium is sourced from PubChem (CID 166475451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).