methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate

C12H15N3O4 — CID 20653020

IUPACmethyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate
SMILESCO/N=C(\C(=O)OC)c1cccnc1ON=C(C)C
InChIInChI=1S/C12H15N3O4/c1-8(2)14-19-11-9(6-5-7-13-11)10(15-18-4)12(16)17-3/h5-7H,1-4H3/b15-10-
InChIKeyGDOBKPQOFSRUTD-GDNBJRDFSA-N
MW265.27 g/mol
LogP1.38
Rot. Bonds5

About methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate

methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate (PubChem CID 20653020) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate
PubChem CID20653020
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate
SMILESCO/N=C(\C(=O)OC)c1cccnc1ON=C(C)C
InChIInChI=1S/C12H15N3O4/c1-8(2)14-19-11-9(6-5-7-13-11)10(15-18-4)12(16)17-3/h5-7H,1-4H3/b15-10-
InChIKeyGDOBKPQOFSRUTD-GDNBJRDFSA-N
XLogP1.38
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate?
The IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate (CID 20653020) is methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate?
The canonical SMILES for methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate is CO/N=C(\C(=O)OC)c1cccnc1ON=C(C)C.
What is the InChIKey of methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate?
The InChIKey is GDOBKPQOFSRUTD-GDNBJRDFSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8(2)14-19-11-9(6-5-7-13-11)10(15-18-4)12(16)17-3/h5-7H,1-4H3/b15-10-.
What are the key properties of methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate?
methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate has a molecular weight of 265.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate is sourced from PubChem (CID 20653020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).