3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one

C9H7N3O2 — CID 137037919

IUPAC3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=N/O
InChIInChI=1S/C9H7N3O2/c13-9-8(5-10-14)11-6-3-1-2-4-7(6)12-9/h1-5,14H,(H,12,13)/b10-5+
InChIKeyGSRGTMHOFIDWAK-BJMVGYQFSA-N
MW189.17 g/mol
LogP0.73
Rot. Bonds1

About 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one

3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one (PubChem CID 137037919) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
PubChem CID137037919
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=N/O
InChIInChI=1S/C9H7N3O2/c13-9-8(5-10-14)11-6-3-1-2-4-7(6)12-9/h1-5,14H,(H,12,13)/b10-5+
InChIKeyGSRGTMHOFIDWAK-BJMVGYQFSA-N
XLogP0.73
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.73
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

3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
CID 135778352
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135623432
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
acetic acid;3-[(2-benzoyl-4-chlorophenyl)iminomethyl]-1H-quinoxalin-2-one;cobalt;hydrate
CID 139241466

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one (CID 137037919) is 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=N/O.
What is the InChIKey of 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one?
The InChIKey is GSRGTMHOFIDWAK-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-9-8(5-10-14)11-6-3-1-2-4-7(6)12-9/h1-5,14H,(H,12,13)/b10-5+.
What are the key properties of 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one?
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one has a molecular weight of 189.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 137037919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).