3-(methoxyiminomethyl)benzamide

C9H10N2O2 — CID 142643998

IUPAC3-(methoxyiminomethyl)benzamide
SMILESCON=Cc1cccc(C(N)=O)c1
InChIInChI=1S/C9H10N2O2/c1-13-11-6-7-3-2-4-8(5-7)9(10)12/h2-6H,1H3,(H2,10,12)
InChIKeyJUZOCGYEGLJMHM-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.77
Rot. Bonds3

About 3-(methoxyiminomethyl)benzamide

3-(methoxyiminomethyl)benzamide (PubChem CID 142643998) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(methoxyiminomethyl)benzamide.

Molecular Properties

Compound Name3-(methoxyiminomethyl)benzamide
PubChem CID142643998
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-(methoxyiminomethyl)benzamide
SMILESCON=Cc1cccc(C(N)=O)c1
InChIInChI=1S/C9H10N2O2/c1-13-11-6-7-3-2-4-8(5-7)9(10)12/h2-6H,1H3,(H2,10,12)
InChIKeyJUZOCGYEGLJMHM-UHFFFAOYSA-N
XLogP0.77
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(methoxyiminomethyl)benzamide
CID 142643997
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
3-prop-1-enylbenzamide
CID 70146317
1-[2-(methoxyiminomethyl)phenyl]ethanone;1-[3-(methoxyiminomethyl)phenyl]ethanone;1-[4-(methoxyiminomethyl)phenyl]ethanone
CID 158736594
N-(3-hydroxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 78783765
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468
1-[3-(hydroxyiminomethyl)phenyl]ethanone
CID 139968005
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine
CID 173355808
3-[(carbamothioylhydrazinylidene)methyl]benzoic acid
CID 71395516

Frequently Asked Questions

What is the IUPAC name of 3-(methoxyiminomethyl)benzamide?
The IUPAC name of 3-(methoxyiminomethyl)benzamide (CID 142643998) is 3-(methoxyiminomethyl)benzamide.
What is the SMILES notation for 3-(methoxyiminomethyl)benzamide?
The canonical SMILES for 3-(methoxyiminomethyl)benzamide is CON=Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(methoxyiminomethyl)benzamide?
The InChIKey is JUZOCGYEGLJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-11-6-7-3-2-4-8(5-7)9(10)12/h2-6H,1H3,(H2,10,12).
What are the key properties of 3-(methoxyiminomethyl)benzamide?
3-(methoxyiminomethyl)benzamide has a molecular weight of 178.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxyiminomethyl)benzamide is sourced from PubChem (CID 142643998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).