ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate

C12H20N4O4 — CID 173077579

IUPACethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate
SMILESCCOC(=O)C(C#N)=NOCN1CCOC(N(C)C)C1
InChIInChI=1S/C12H20N4O4/c1-4-18-12(17)10(7-13)14-20-9-16-5-6-19-11(8-16)15(2)3/h11H,4-6,8-9H2,1-3H3
InChIKeyYGKFOAVAQUUPSQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.38
Rot. Bonds6

About ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate

ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate (PubChem CID 173077579) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate
PubChem CID173077579
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Nameethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate
SMILESCCOC(=O)C(C#N)=NOCN1CCOC(N(C)C)C1
InChIInChI=1S/C12H20N4O4/c1-4-18-12(17)10(7-13)14-20-9-16-5-6-19-11(8-16)15(2)3/h11H,4-6,8-9H2,1-3H3
InChIKeyYGKFOAVAQUUPSQ-UHFFFAOYSA-N
XLogP-0.38
TPSA87.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate?
The IUPAC name of ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate (CID 173077579) is ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate.
What is the SMILES notation for ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate?
The canonical SMILES for ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate is CCOC(=O)C(C#N)=NOCN1CCOC(N(C)C)C1.
What is the InChIKey of ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate?
The InChIKey is YGKFOAVAQUUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-4-18-12(17)10(7-13)14-20-9-16-5-6-19-11(8-16)15(2)3/h11H,4-6,8-9H2,1-3H3.
What are the key properties of ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate?
ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate has a molecular weight of 284.32 g/mol, XLogP of -0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate is sourced from PubChem (CID 173077579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).