(2S)-2-(hydroxyamino)-1,2-diphenylethanone

C14H13NO2 — CID 7016003

IUPAC(2S)-2-(hydroxyamino)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@@H](NO)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,13,15,17H/t13-/m0/s1
InChIKeyVVEODXUGGAEFIQ-ZDUSSCGKSA-N
MW227.26 g/mol
LogP2.59
Rot. Bonds4

About (2S)-2-(hydroxyamino)-1,2-diphenylethanone

(2S)-2-(hydroxyamino)-1,2-diphenylethanone (PubChem CID 7016003) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-2-(hydroxyamino)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2S)-2-(hydroxyamino)-1,2-diphenylethanone
PubChem CID7016003
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(2S)-2-(hydroxyamino)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)[C@@H](NO)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,13,15,17H/t13-/m0/s1
InChIKeyVVEODXUGGAEFIQ-ZDUSSCGKSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
CID 6991228
2-hydroxy-1,2-diphenylethanone
CID 159399559
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium
CID 2093668
1,2-diphenylpentane-1,4-dione
CID 13184730

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxyamino)-1,2-diphenylethanone?
The IUPAC name of (2S)-2-(hydroxyamino)-1,2-diphenylethanone (CID 7016003) is (2S)-2-(hydroxyamino)-1,2-diphenylethanone.
What is the SMILES notation for (2S)-2-(hydroxyamino)-1,2-diphenylethanone?
The canonical SMILES for (2S)-2-(hydroxyamino)-1,2-diphenylethanone is O=C(c1ccccc1)[C@@H](NO)c1ccccc1.
What is the InChIKey of (2S)-2-(hydroxyamino)-1,2-diphenylethanone?
The InChIKey is VVEODXUGGAEFIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,13,15,17H/t13-/m0/s1.
What are the key properties of (2S)-2-(hydroxyamino)-1,2-diphenylethanone?
(2S)-2-(hydroxyamino)-1,2-diphenylethanone has a molecular weight of 227.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxyamino)-1,2-diphenylethanone is sourced from PubChem (CID 7016003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).