methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate

C8H11N3O3 — CID 12580317

IUPACmethyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate
SMILESCO/N=C(/C(=O)OC)c1nccn1C
InChIInChI=1S/C8H11N3O3/c1-11-5-4-9-7(11)6(10-14-3)8(12)13-2/h4-5H,1-3H3/b10-6+
InChIKeyOGTCFBKWPFPXIJ-UXBLZVDNSA-N
MW197.19 g/mol
LogP-0.06
Rot. Bonds3

About methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate

methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate (PubChem CID 12580317) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate
PubChem CID12580317
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate
SMILESCO/N=C(/C(=O)OC)c1nccn1C
InChIInChI=1S/C8H11N3O3/c1-11-5-4-9-7(11)6(10-14-3)8(12)13-2/h4-5H,1-3H3/b10-6+
InChIKeyOGTCFBKWPFPXIJ-UXBLZVDNSA-N
XLogP-0.06
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-methoxy-1-(1-methylimidazol-2-yl)propan-1-one
CID 79616410
(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine
CID 18713757
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
(2E)-2-hydroxyimino-1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 171986145
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133
methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate
CID 10979045
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
1-methyl-N-propylimidazole-2-carboxamide
CID 12006368
methyl (E)-2-(chloroamino)-3-(1-methylimidazol-2-yl)prop-2-enoate
CID 87420329

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate?
The IUPAC name of methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate (CID 12580317) is methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate is CO/N=C(/C(=O)OC)c1nccn1C.
What is the InChIKey of methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate?
The InChIKey is OGTCFBKWPFPXIJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-11-5-4-9-7(11)6(10-14-3)8(12)13-2/h4-5H,1-3H3/b10-6+.
What are the key properties of methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate?
methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate has a molecular weight of 197.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate is sourced from PubChem (CID 12580317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).