3-(hydroxyiminomethyl)-2-methoxybenzamide

C9H10N2O3 — CID 143987330

IUPAC3-(hydroxyiminomethyl)-2-methoxybenzamide
SMILESCOc1c(C=NO)cccc1C(N)=O
InChIInChI=1S/C9H10N2O3/c1-14-8-6(5-11-13)3-2-4-7(8)9(10)12/h2-5,13H,1H3,(H2,10,12)
InChIKeyNWESCOPPRVMVMU-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.60
Rot. Bonds3

About 3-(hydroxyiminomethyl)-2-methoxybenzamide

3-(hydroxyiminomethyl)-2-methoxybenzamide (PubChem CID 143987330) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(hydroxyiminomethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3-(hydroxyiminomethyl)-2-methoxybenzamide
PubChem CID143987330
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(hydroxyiminomethyl)-2-methoxybenzamide
SMILESCOc1c(C=NO)cccc1C(N)=O
InChIInChI=1S/C9H10N2O3/c1-14-8-6(5-11-13)3-2-4-7(8)9(10)12/h2-5,13H,1H3,(H2,10,12)
InChIKeyNWESCOPPRVMVMU-UHFFFAOYSA-N
XLogP0.60
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.60
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

2,3-dimethoxybenzamide;hydrate
CID 141005510
tert-butyl 5-[(E)-hydroxyiminomethyl]naphthalene-1-carboxylate
CID 58497971
2-methoxy-3-methylsulfonylbenzamide
CID 70437297
(2R)-2-[2-(hydroxyiminomethyl)-6-methoxyphenoxy]propanoic acid
CID 126251082
3-acetyl-2-methoxybenzaldehyde
CID 148697874
3-(4-formylphenyl)-2-methoxybenzamide
CID 58276598
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
ethyl (E)-4-[2-[(Z)-hydroxyiminomethyl]-6-methoxyphenoxy]but-2-enoate
CID 87768726
2-carboxy-6-(hydroxyiminomethyl)phenolate
CID 135480902
[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone
CID 88904908
4-(hydroxyiminomethyl)-2-methylbenzamide
CID 163209734

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyiminomethyl)-2-methoxybenzamide?
The IUPAC name of 3-(hydroxyiminomethyl)-2-methoxybenzamide (CID 143987330) is 3-(hydroxyiminomethyl)-2-methoxybenzamide.
What is the SMILES notation for 3-(hydroxyiminomethyl)-2-methoxybenzamide?
The canonical SMILES for 3-(hydroxyiminomethyl)-2-methoxybenzamide is COc1c(C=NO)cccc1C(N)=O.
What is the InChIKey of 3-(hydroxyiminomethyl)-2-methoxybenzamide?
The InChIKey is NWESCOPPRVMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-6(5-11-13)3-2-4-7(8)9(10)12/h2-5,13H,1H3,(H2,10,12).
What are the key properties of 3-(hydroxyiminomethyl)-2-methoxybenzamide?
3-(hydroxyiminomethyl)-2-methoxybenzamide has a molecular weight of 194.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyiminomethyl)-2-methoxybenzamide is sourced from PubChem (CID 143987330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).