(NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C10H16BrNO — CID 5386563

IUPAC(NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC12CCC(C/C1=N/O)C2(C)CBr
InChIInChI=1S/C10H16BrNO/c1-9-4-3-7(5-8(9)12-13)10(9,2)6-11/h7,13H,3-6H2,1-2H3/b12-8-
InChIKeyAWBFTBBHLBKDMO-WQLSENKSSA-N
MW246.15 g/mol
LogP3.04
Rot. Bonds1

About (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 5386563) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID5386563
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name(NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCC12CCC(C/C1=N/O)C2(C)CBr
InChIInChI=1S/C10H16BrNO/c1-9-4-3-7(5-8(9)12-13)10(9,2)6-11/h7,13H,3-6H2,1-2H3/b12-8-
InChIKeyAWBFTBBHLBKDMO-WQLSENKSSA-N
XLogP3.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 5386563) is (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CC12CCC(C/C1=N/O)C2(C)CBr.
What is the InChIKey of (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is AWBFTBBHLBKDMO-WQLSENKSSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-9-4-3-7(5-8(9)12-13)10(9,2)6-11/h7,13H,3-6H2,1-2H3/b12-8-.
What are the key properties of (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 246.15 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 5386563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).