ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate

C10H18N4O3 — CID 73357406

IUPACethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate
SMILESCCOC(=O)/C(C#N)=N/OC(N(C)C)N(C)C
InChIInChI=1S/C10H18N4O3/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5/h10H,6H2,1-5H3/b12-8+
InChIKeyNHKNMGLCLAGPIN-XYOKQWHBSA-N
MW242.28 g/mol
LogP-0.15
Rot. Bonds6

About ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate

ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate (PubChem CID 73357406) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate
PubChem CID73357406
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nameethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate
SMILESCCOC(=O)/C(C#N)=N/OC(N(C)C)N(C)C
InChIInChI=1S/C10H18N4O3/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5/h10H,6H2,1-5H3/b12-8+
InChIKeyNHKNMGLCLAGPIN-XYOKQWHBSA-N
XLogP-0.15
TPSA78.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-cyano-2-[dimethylamino(piperidin-1-ium-1-yl)methoxy]iminoacetate;pentafluoro-λ5-phosphane;fluoride
CID 91103603
ethyl (2E)-2-cyano-2-diphenoxyphosphoryloxyiminoacetate
CID 59360861
ethyl 2-cyano-2-phenylmethoxycarbonyloxyiminoacetate
CID 54285299
ethyl (2Z)-2-cyano-2-(2,3,4,5,6-pentachlorophenoxy)carbonyloxyiminoacetate
CID 88839635
ethyl (2E)-2-cyano-2-(2-oxopropylsulfanylimino)acetate
CID 134891403
ethyl 2-[[chloro(dimethylamino)methylidene]amino]-3,3-dicyanoprop-2-enoate
CID 135007288
ethyl 2-cyano-2-[[2-(dimethylamino)morpholin-4-yl]methoxyimino]acetate
CID 173077579
ethyl (2E)-2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate
CID 177458218
ethyl 2-cyano-2-[(5-nitro-2-pyridinyl)oxyimino]acetate
CID 131846989
ethyl (E)-2-cyano-3-(dimethylaminomethylideneamino)prop-2-enoate
CID 5285263
ethyl 3,3-dicyano-2-hydroxyprop-2-enoate
CID 11859031
2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide
CID 71438651

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate?
The IUPAC name of ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate (CID 73357406) is ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate.
What is the SMILES notation for ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate?
The canonical SMILES for ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate is CCOC(=O)/C(C#N)=N/OC(N(C)C)N(C)C.
What is the InChIKey of ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate?
The InChIKey is NHKNMGLCLAGPIN-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5/h10H,6H2,1-5H3/b12-8+.
What are the key properties of ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate?
ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate has a molecular weight of 242.28 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[bis(dimethylamino)methoxyimino]-2-cyanoacetate is sourced from PubChem (CID 73357406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).