3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide

C13H14ClNO2 — CID 22210063

IUPAC3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide
SMILES[O-][NH+](O)C1C2C=CC(C2)C1c1ccccc1Cl
InChIInChI=1S/C13H14ClNO2/c14-11-4-2-1-3-10(11)12-8-5-6-9(7-8)13(12)15(16)17/h1-6,8-9,12-13,15-16H,7H2
InChIKeyDTKPYAKNWVMZIU-UHFFFAOYSA-N
MW251.71 g/mol
LogP1.77
Rot. Bonds2

About 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide

3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide (PubChem CID 22210063) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide
PubChem CID22210063
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide
SMILES[O-][NH+](O)C1C2C=CC(C2)C1c1ccccc1Cl
InChIInChI=1S/C13H14ClNO2/c14-11-4-2-1-3-10(11)12-8-5-6-9(7-8)13(12)15(16)17/h1-6,8-9,12-13,15-16H,7H2
InChIKeyDTKPYAKNWVMZIU-UHFFFAOYSA-N
XLogP1.77
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide?
The IUPAC name of 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide (CID 22210063) is 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide?
The canonical SMILES for 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide is [O-][NH+](O)C1C2C=CC(C2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide?
The InChIKey is DTKPYAKNWVMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-11-4-2-1-3-10(11)12-8-5-6-9(7-8)13(12)15(16)17/h1-6,8-9,12-13,15-16H,7H2.
What are the key properties of 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide?
3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide has a molecular weight of 251.71 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-hydroxybicyclo[2.2.1]hept-5-en-2-amine oxide is sourced from PubChem (CID 22210063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).