1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine

C9H9N3O2 — CID 72609414

IUPAC1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine
SMILESCON=C(C)c1ccc2nonc2c1
InChIInChI=1S/C9H9N3O2/c1-6(10-13-2)7-3-4-8-9(5-7)12-14-11-8/h3-5H,1-2H3
InChIKeyICOKTGBYFMLVAV-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.59
Rot. Bonds2

About 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine

1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine (PubChem CID 72609414) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine
PubChem CID72609414
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine
SMILESCON=C(C)c1ccc2nonc2c1
InChIInChI=1S/C9H9N3O2/c1-6(10-13-2)7-3-4-8-9(5-7)12-14-11-8/h3-5H,1-2H3
InChIKeyICOKTGBYFMLVAV-UHFFFAOYSA-N
XLogP1.59
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
2-(2,1,3-benzoxadiazol-5-yl)-3-(4-methoxyphenyl)but-2-enedioic acid
CID 57275640
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzaldehyde
CID 142977797
[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-[(E)-prop-1-enyl]phenyl] acetate
CID 142752164
1-[3-(2,2-dimethylpropoxy)phenyl]-N-methoxyethanimine
CID 72592560
1-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]propan-1-one
CID 23555802
(Z)-N-methoxy-1-(4-propylphenyl)ethanimine
CID 90777265
N-methoxy-1-[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanimine
CID 72609421
N-(2-methylpropyl)-N-propan-2-yl-2,1,3-benzoxadiazole-5-carboxamide
CID 23588517
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine (CID 72609414) is 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine is CON=C(C)c1ccc2nonc2c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine?
The InChIKey is ICOKTGBYFMLVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6(10-13-2)7-3-4-8-9(5-7)12-14-11-8/h3-5H,1-2H3.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine?
1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine has a molecular weight of 191.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine is sourced from PubChem (CID 72609414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).