sodium N-hydroxybenzenecarboximidate

C7H6NNaO2 — CID 141386787

IUPACsodium N-hydroxybenzenecarboximidate
SMILES[Na+].[O-]C(=NO)c1ccccc1
InChIInChI=1S/C7H7NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5,10H,(H,8,9);/q;+1/p-1
InChIKeyWKRMXVFZXWASSZ-UHFFFAOYSA-M
MW159.12 g/mol
LogP-2.81
Rot. Bonds1

About sodium N-hydroxybenzenecarboximidate

sodium N-hydroxybenzenecarboximidate (PubChem CID 141386787) has the molecular formula C7H6NNaO2 and a molecular weight of 159.12 g/mol. Its IUPAC name is sodium N-hydroxybenzenecarboximidate.

Molecular Properties

Compound Namesodium N-hydroxybenzenecarboximidate
PubChem CID141386787
Molecular FormulaC7H6NNaO2
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Namesodium N-hydroxybenzenecarboximidate
SMILES[Na+].[O-]C(=NO)c1ccccc1
InChIInChI=1S/C7H7NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5,10H,(H,8,9);/q;+1/p-1
InChIKeyWKRMXVFZXWASSZ-UHFFFAOYSA-M
XLogP-2.81
TPSA55.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

sodium N-phenylbenzenecarboximidate
CID 101478237
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
disodium;diphenylmethanone
CID 19380838
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
N'-hydroxybenzenecarboximidamide
CID 142861747
benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium
CID 135031659
sodium (E)-1-hydroxy-1-phenylprop-1-en-2-olate
CID 139880916
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
sodium;formaldehyde;benzoate
CID 159976581
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
N-(3-oxobutan-2-yl)benzenecarboximidate
CID 71416296
magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide
CID 134890820

Frequently Asked Questions

What is the IUPAC name of sodium N-hydroxybenzenecarboximidate?
The IUPAC name of sodium N-hydroxybenzenecarboximidate (CID 141386787) is sodium N-hydroxybenzenecarboximidate.
What is the SMILES notation for sodium N-hydroxybenzenecarboximidate?
The canonical SMILES for sodium N-hydroxybenzenecarboximidate is [Na+].[O-]C(=NO)c1ccccc1.
What is the InChIKey of sodium N-hydroxybenzenecarboximidate?
The InChIKey is WKRMXVFZXWASSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5,10H,(H,8,9);/q;+1/p-1.
What are the key properties of sodium N-hydroxybenzenecarboximidate?
sodium N-hydroxybenzenecarboximidate has a molecular weight of 159.12 g/mol, XLogP of -2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-hydroxybenzenecarboximidate is sourced from PubChem (CID 141386787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).