4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide

C11H10N2O4 — CID 85145045

IUPAC4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESNC(=O)C12OC1C(O)(c1ccccc1)NC2=O
InChIInChI=1S/C11H10N2O4/c12-8(14)10-7(17-10)11(16,13-9(10)15)6-4-2-1-3-5-6/h1-5,7,16H,(H2,12,14)(H,13,15)
InChIKeyVXEGPEWUDKIHSH-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.42
Rot. Bonds2

About 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide

4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 85145045) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID85145045
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESNC(=O)C12OC1C(O)(c1ccccc1)NC2=O
InChIInChI=1S/C11H10N2O4/c12-8(14)10-7(17-10)11(16,13-9(10)15)6-4-2-1-3-5-6/h1-5,7,16H,(H2,12,14)(H,13,15)
InChIKeyVXEGPEWUDKIHSH-UHFFFAOYSA-N
XLogP-1.42
TPSA104.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 85145045) is 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide is NC(=O)C12OC1C(O)(c1ccccc1)NC2=O.
What is the InChIKey of 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is VXEGPEWUDKIHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c12-8(14)10-7(17-10)11(16,13-9(10)15)6-4-2-1-3-5-6/h1-5,7,16H,(H2,12,14)(H,13,15).
What are the key properties of 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide?
4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 234.21 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-4-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 85145045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).