4-(3-oxomorpholin-4-yl)benzoyl azide

C11H10N4O3 — CID 72950117

IUPAC4-(3-oxomorpholin-4-yl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C11H10N4O3/c12-14-13-11(17)8-1-3-9(4-2-8)15-5-6-18-7-10(15)16/h1-4H,5-7H2
InChIKeyWGADCWVRSZWOKU-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.50
Rot. Bonds2

About 4-(3-oxomorpholin-4-yl)benzoyl azide

4-(3-oxomorpholin-4-yl)benzoyl azide (PubChem CID 72950117) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-(3-oxomorpholin-4-yl)benzoyl azide.

Molecular Properties

Compound Name4-(3-oxomorpholin-4-yl)benzoyl azide
PubChem CID72950117
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-(3-oxomorpholin-4-yl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C11H10N4O3/c12-14-13-11(17)8-1-3-9(4-2-8)15-5-6-18-7-10(15)16/h1-4H,5-7H2
InChIKeyWGADCWVRSZWOKU-UHFFFAOYSA-N
XLogP1.50
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
5-(3-oxomorpholin-4-yl)benzene-1,3-dicarboxamide
CID 165482135
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxomorpholin-4-yl)benzoyl azide?
The IUPAC name of 4-(3-oxomorpholin-4-yl)benzoyl azide (CID 72950117) is 4-(3-oxomorpholin-4-yl)benzoyl azide.
What is the SMILES notation for 4-(3-oxomorpholin-4-yl)benzoyl azide?
The canonical SMILES for 4-(3-oxomorpholin-4-yl)benzoyl azide is [N-]=[N+]=NC(=O)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-(3-oxomorpholin-4-yl)benzoyl azide?
The InChIKey is WGADCWVRSZWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-14-13-11(17)8-1-3-9(4-2-8)15-5-6-18-7-10(15)16/h1-4H,5-7H2.
What are the key properties of 4-(3-oxomorpholin-4-yl)benzoyl azide?
4-(3-oxomorpholin-4-yl)benzoyl azide has a molecular weight of 246.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxomorpholin-4-yl)benzoyl azide is sourced from PubChem (CID 72950117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).