2-oxo-2-phenylacetyl azide

C8H5N3O2 — CID 54447915

IUPAC2-oxo-2-phenylacetyl azide
SMILES[N-]=[N+]=NC(=O)C(=O)c1ccccc1
InChIInChI=1S/C8H5N3O2/c9-11-10-8(13)7(12)6-4-2-1-3-5-6/h1-5H
InChIKeyWSVUUWAVXJQEBW-UHFFFAOYSA-N
MW175.15 g/mol
LogP1.71
Rot. Bonds2

About 2-oxo-2-phenylacetyl azide

2-oxo-2-phenylacetyl azide (PubChem CID 54447915) has the molecular formula C8H5N3O2 and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-oxo-2-phenylacetyl azide.

Molecular Properties

Compound Name2-oxo-2-phenylacetyl azide
PubChem CID54447915
Molecular FormulaC8H5N3O2
Molecular Weight175.15 g/mol
Exact Mass175.04
IUPAC Name2-oxo-2-phenylacetyl azide
SMILES[N-]=[N+]=NC(=O)C(=O)c1ccccc1
InChIInChI=1S/C8H5N3O2/c9-11-10-8(13)7(12)6-4-2-1-3-5-6/h1-5H
InChIKeyWSVUUWAVXJQEBW-UHFFFAOYSA-N
XLogP1.71
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

benzoyl azide;hydrochloride
CID 174620684
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
CID 141419915
benzoyl azide;(NE)-N-ethylidenehydroxylamine
CID 135184096
2-diazo-2-fluoro-1-phenylethanone
CID 151445547
2-[(E)-1,2-diazido-3-oxo-3-phenylprop-1-enyl]benzenesulfonic acid
CID 175776259

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-phenylacetyl azide?
The IUPAC name of 2-oxo-2-phenylacetyl azide (CID 54447915) is 2-oxo-2-phenylacetyl azide.
What is the SMILES notation for 2-oxo-2-phenylacetyl azide?
The canonical SMILES for 2-oxo-2-phenylacetyl azide is [N-]=[N+]=NC(=O)C(=O)c1ccccc1.
What is the InChIKey of 2-oxo-2-phenylacetyl azide?
The InChIKey is WSVUUWAVXJQEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2/c9-11-10-8(13)7(12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-oxo-2-phenylacetyl azide?
2-oxo-2-phenylacetyl azide has a molecular weight of 175.15 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-phenylacetyl azide is sourced from PubChem (CID 54447915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).