(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate

C31H68N6O14 — CID 172941919

IUPAC(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate
SMILESC.C.C.C.C.CNC(=O)/C(C)=N/OC.CO/C=C(\C)C(=O)OC.CO/N=C(\C)C(=O)OC.CO/N=C(\C)C1=NOCCO1.COC(=O)N(C)OC
InChIInChI=1S/C6H10N2O3.C6H10O3.C5H10N2O2.C5H9NO3.C4H9NO3.5CH4/c1-5(7-9-2)6-8-11-4-3-10-6;1-5(4-8-2)6(7)9-3;1-4(7-9-3)5(8)6-2;1-4(6-9-3)5(7)8-2;1-5(8-3)4(6)7-2;;;;;/h3-4H2,1-2H3;4H,1-3H3;1-3H3,(H,6,8);1-3H3;1-3H3;5*1H4/b7-5+;5-4+;7-4+;6-4+;;;;;;
InChIKeyCUNUSLXMSOANPP-FWILDSRGSA-N
MW748.91 g/mol
LogP4.44
Rot. Bonds9

About (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate

(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate (PubChem CID 172941919) has the molecular formula C31H68N6O14 and a molecular weight of 748.91 g/mol. Its IUPAC name is (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Name(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate
PubChem CID172941919
Molecular FormulaC31H68N6O14
Molecular Weight748.91 g/mol
Exact Mass748.48
IUPAC Name(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate
SMILESC.C.C.C.C.CNC(=O)/C(C)=N/OC.CO/C=C(\C)C(=O)OC.CO/N=C(\C)C(=O)OC.CO/N=C(\C)C1=NOCCO1.COC(=O)N(C)OC
InChIInChI=1S/C6H10N2O3.C6H10O3.C5H10N2O2.C5H9NO3.C4H9NO3.5CH4/c1-5(7-9-2)6-8-11-4-3-10-6;1-5(4-8-2)6(7)9-3;1-4(7-9-3)5(8)6-2;1-4(6-9-3)5(7)8-2;1-5(8-3)4(6)7-2;;;;;/h3-4H2,1-2H3;4H,1-3H3;1-3H3,(H,6,8);1-3H3;1-3H3;5*1H4/b7-5+;5-4+;7-4+;6-4+;;;;;;
InChIKeyCUNUSLXMSOANPP-FWILDSRGSA-N
XLogP4.44
TPSA225.29 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate?
The IUPAC name of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate (CID 172941919) is (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate.
What is the SMILES notation for (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate?
The canonical SMILES for (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate is C.C.C.C.C.CNC(=O)/C(C)=N/OC.CO/C=C(\C)C(=O)OC.CO/N=C(\C)C(=O)OC.CO/N=C(\C)C1=NOCCO1.COC(=O)N(C)OC.
What is the InChIKey of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate?
The InChIKey is CUNUSLXMSOANPP-FWILDSRGSA-N. The full InChI is InChI=1S/C6H10N2O3.C6H10O3.C5H10N2O2.C5H9NO3.C4H9NO3.5CH4/c1-5(7-9-2)6-8-11-4-3-10-6;1-5(4-8-2)6(7)9-3;1-4(7-9-3)5(8)6-2;1-4(6-9-3)5(7)8-2;1-5(8-3)4(6)7-2;;;;;/h3-4H2,1-2H3;4H,1-3H3;1-3H3,(H,6,8);1-3H3;1-3H3;5*1H4/b7-5+;5-4+;7-4+;6-4+;;;;;;.
What are the key properties of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate?
(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate has a molecular weight of 748.91 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine;methane;(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate;methyl N-methoxy-N-methylcarbamate;methyl (E)-3-methoxy-2-methylprop-2-enoate is sourced from PubChem (CID 172941919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).