N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide

C7H10N4O3 — CID 54155508

IUPACN-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
SMILESCNC(=O)CNC(=O)C(C#N)=NOC
InChIInChI=1S/C7H10N4O3/c1-9-6(12)4-10-7(13)5(3-8)11-14-2/h4H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyOKTOHYXZEPNPPK-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.63
Rot. Bonds4

About N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide

N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide (PubChem CID 54155508) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound NameN-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
PubChem CID54155508
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC NameN-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
SMILESCNC(=O)CNC(=O)C(C#N)=NOC
InChIInChI=1S/C7H10N4O3/c1-9-6(12)4-10-7(13)5(3-8)11-14-2/h4H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyOKTOHYXZEPNPPK-UHFFFAOYSA-N
XLogP-1.63
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(buta-2,3-dienylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88683228
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 5364079
(2-cyano-2-methoxyiminoacetyl)carbamic acid
CID 91248442
2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide
CID 91361912
2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 154103046
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
(1E)-N-methoxy-2-oxo-2-[(2E)-2-(2,2,2-trichloroethylidene)hydrazinyl]ethanimidoyl cyanide
CID 117063855
[(Z)-[1-cyano-2-(methylamino)-2-oxoethylidene]amino] acetate
CID 21409341
(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88846142
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-3-methylsulfonylpropanoic acid
CID 23274937
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-4-methylsulfonylbutanoic acid
CID 23275236
2-(ethylcarbamoylamino)-N-methylacetamide
CID 115575880

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide?
The IUPAC name of N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide (CID 54155508) is N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide.
What is the SMILES notation for N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide?
The canonical SMILES for N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide is CNC(=O)CNC(=O)C(C#N)=NOC.
What is the InChIKey of N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide?
The InChIKey is OKTOHYXZEPNPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-9-6(12)4-10-7(13)5(3-8)11-14-2/h4H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide?
N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide has a molecular weight of 198.18 g/mol, XLogP of -1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 54155508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).