(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate

C10H19N3O5 — CID 172959290

IUPAC(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
SMILESCNC(=O)/C(C)=N/OC.CO/N=C(\C)C(=O)OC
InChIInChI=1S/C5H10N2O2.C5H9NO3/c1-4(7-9-3)5(8)6-2;1-4(6-9-3)5(7)8-2/h1-3H3,(H,6,8);1-3H3/b7-4+;6-4+
InChIKeyLCVYWQHLDPZTOJ-CFLLHFHGSA-N
MW261.28 g/mol
LogP-0.06
Rot. Bonds4

About (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate

(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate (PubChem CID 172959290) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate.

Molecular Properties

Compound Name(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
PubChem CID172959290
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate
SMILESCNC(=O)/C(C)=N/OC.CO/N=C(\C)C(=O)OC
InChIInChI=1S/C5H10N2O2.C5H9NO3/c1-4(7-9-3)5(8)6-2;1-4(6-9-3)5(7)8-2/h1-3H3,(H,6,8);1-3H3/b7-4+;6-4+
InChIKeyLCVYWQHLDPZTOJ-CFLLHFHGSA-N
XLogP-0.06
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
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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Related Compounds

bis(2-methoxyiminopropanoyloxy)indiganyl 2-methoxyiminopropanoate
CID 140789850
(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
methyl 2-(2-acetylhydrazinyl)-2-oxoacetate
CID 88919258
2-methoxyiminopropanoic acid;zinc
CID 174796491
methyl 2-[[2-[[3,4-bis(methoxyimino)pentan-2-ylideneamino]oxymethyl]phenyl]methoxyimino]propanoate
CID 139816164
2,3-bis(methoxyimino)butanoic acid
CID 54102019
dimethyl oxalate
CID 11120
N,N'-di((113C)methyl)oxamide
CID 169438737
(2E)-2-methoxyimino-N-methyl-2-phenylacetamide
CID 18413242
ethane;N-methoxyethanimine;N-methoxypropan-2-imine;N-methylacetamide;methyl acetate
CID 160945585
dimethyl (2E)-2-methoxyiminobutanedioate
CID 5365394
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate?
The IUPAC name of (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate (CID 172959290) is (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate.
What is the SMILES notation for (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate?
The canonical SMILES for (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate is CNC(=O)/C(C)=N/OC.CO/N=C(\C)C(=O)OC.
What is the InChIKey of (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate?
The InChIKey is LCVYWQHLDPZTOJ-CFLLHFHGSA-N. The full InChI is InChI=1S/C5H10N2O2.C5H9NO3/c1-4(7-9-3)5(8)6-2;1-4(6-9-3)5(7)8-2/h1-3H3,(H,6,8);1-3H3/b7-4+;6-4+.
What are the key properties of (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate?
(2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate has a molecular weight of 261.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-N-methylpropanamide;methyl (2E)-2-methoxyiminopropanoate is sourced from PubChem (CID 172959290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).