N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine

C11H12BrNO — CID 4057482

IUPACN-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
SMILESON=C1C2C3C(Br)C4C5CC(C1C53)C24
InChIInChI=1S/C11H12BrNO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13-14/h2-10,14H,1H2
InChIKeyFLIVZDHPXLXDIL-UHFFFAOYSA-N
MW254.13 g/mol
LogP1.97
Rot. Bonds

About N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine

N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine (PubChem CID 4057482) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine.

Molecular Properties

Compound NameN-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
PubChem CID4057482
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
SMILESON=C1C2C3C(Br)C4C5CC(C1C53)C24
InChIInChI=1S/C11H12BrNO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13-14/h2-10,14H,1H2
InChIKeyFLIVZDHPXLXDIL-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
The IUPAC name of N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine (CID 4057482) is N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine.
What is the SMILES notation for N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
The canonical SMILES for N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine is ON=C1C2C3C(Br)C4C5CC(C1C53)C24.
What is the InChIKey of N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
The InChIKey is FLIVZDHPXLXDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-6-2-1-3-4(6)9-8(10)5(2)7(3)11(9)13-14/h2-10,14H,1H2.
What are the key properties of N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine?
N-(7-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 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-4-pentacyclo[6.3.0.02,6.03,10.05,9]undecanylidene)hydroxylamine is sourced from PubChem (CID 4057482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).