azane;2-hydroxyimino-1-phenylethanone

C8H10N2O2 — CID 172864672

IUPACazane;2-hydroxyimino-1-phenylethanone
SMILESN.O=C(C=NO)c1ccccc1
InChIInChI=1S/C8H7NO2.H3N/c10-8(6-9-11)7-4-2-1-3-5-7;/h1-6,11H;1H3
InChIKeyZVDDPWWLGDVGKQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.49
Rot. Bonds2

About azane;2-hydroxyimino-1-phenylethanone

azane;2-hydroxyimino-1-phenylethanone (PubChem CID 172864672) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is azane;2-hydroxyimino-1-phenylethanone.

Molecular Properties

Compound Nameazane;2-hydroxyimino-1-phenylethanone
PubChem CID172864672
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nameazane;2-hydroxyimino-1-phenylethanone
SMILESN.O=C(C=NO)c1ccccc1
InChIInChI=1S/C8H7NO2.H3N/c10-8(6-9-11)7-4-2-1-3-5-7;/h1-6,11H;1H3
InChIKeyZVDDPWWLGDVGKQ-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

formaldehyde;2-hydroxyimino-1-phenylethanone
CID 174600728
2-hydroxyimino-1-phenylethanone;quinoline
CID 161451163
(2Z)-1-(4-chlorophenyl)-2-hydroxyiminoethanone
CID 6399483
(2Z)-1-(4-bromophenyl)-2-hydroxyiminoethanone
CID 11356618
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
CID 125475811
2-[4-(phenacylideneamino)butylimino]-1-phenylethanone
CID 102036935
1-(4-ethylphenyl)-2-hydroxyiminoethanone
CID 140529170
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
phenacylidenetungsten
CID 139264471
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
CID 87742582
2-hydroxyimino-1-phenylethanone;6-methyl-1-phenylcyclohexa-2,4-diene-1-sulfonic acid
CID 174671416

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxyimino-1-phenylethanone?
The IUPAC name of azane;2-hydroxyimino-1-phenylethanone (CID 172864672) is azane;2-hydroxyimino-1-phenylethanone.
What is the SMILES notation for azane;2-hydroxyimino-1-phenylethanone?
The canonical SMILES for azane;2-hydroxyimino-1-phenylethanone is N.O=C(C=NO)c1ccccc1.
What is the InChIKey of azane;2-hydroxyimino-1-phenylethanone?
The InChIKey is ZVDDPWWLGDVGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.H3N/c10-8(6-9-11)7-4-2-1-3-5-7;/h1-6,11H;1H3.
What are the key properties of azane;2-hydroxyimino-1-phenylethanone?
azane;2-hydroxyimino-1-phenylethanone has a molecular weight of 166.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxyimino-1-phenylethanone is sourced from PubChem (CID 172864672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).