2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

C7H10Cl2N2O2 — CID 146337169

IUPAC2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N(O)C2CCC(C(Cl)Cl)N1C2
InChIInChI=1S/C7H10Cl2N2O2/c8-6(9)5-2-1-4-3-10(5)7(12)11(4)13/h4-6,13H,1-3H2
InChIKeyFJSUGUFAKWQUSC-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.45
Rot. Bonds1

About 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 146337169) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID146337169
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Name2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N(O)C2CCC(C(Cl)Cl)N1C2
InChIInChI=1S/C7H10Cl2N2O2/c8-6(9)5-2-1-4-3-10(5)7(12)11(4)13/h4-6,13H,1-3H2
InChIKeyFJSUGUFAKWQUSC-UHFFFAOYSA-N
XLogP1.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 146337169) is 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N(O)C2CCC(C(Cl)Cl)N1C2.
What is the InChIKey of 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is FJSUGUFAKWQUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O2/c8-6(9)5-2-1-4-3-10(5)7(12)11(4)13/h4-6,13H,1-3H2.
What are the key properties of 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 225.07 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 146337169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).