N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine

C11H12BrNO — CID 599818

IUPACN-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
SMILESON=C1C2C3CC4C5CC(Br)(C1C53)C42
InChIInChI=1S/C11H12BrNO/c12-11-2-5-3-1-4-6(5)9(11)10(13-14)7(4)8(3)11/h3-9,14H,1-2H2
InChIKeyBJSOAUZECWKNAA-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.11
Rot. Bonds

About N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine

N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine (PubChem CID 599818) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
PubChem CID599818
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
SMILESON=C1C2C3CC4C5CC(Br)(C1C53)C42
InChIInChI=1S/C11H12BrNO/c12-11-2-5-3-1-4-6(5)9(11)10(13-14)7(4)8(3)11/h3-9,14H,1-2H2
InChIKeyBJSOAUZECWKNAA-UHFFFAOYSA-N
XLogP2.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.11
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 N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
The IUPAC name of N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine (CID 599818) is N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine.
What is the SMILES notation for N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
The canonical SMILES for N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine is ON=C1C2C3CC4C5CC(Br)(C1C53)C42.
What is the InChIKey of N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
The InChIKey is BJSOAUZECWKNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-11-2-5-3-1-4-6(5)9(11)10(13-14)7(4)8(3)11/h3-9,14H,1-2H2.
What are the key properties of N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine has a molecular weight of 254.13 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine is sourced from PubChem (CID 599818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).