(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

C7H10N4O3 — CID 5364079

IUPAC(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCCNC(=O)NC(=O)/C(C#N)=N/OC
InChIInChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
InChIKeyXERJKGMBORTKEO-VZUCSPMQSA-N
MW198.18 g/mol
LogP-0.64
Rot. Bonds3

About (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (PubChem CID 5364079) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
PubChem CID5364079
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCCNC(=O)NC(=O)/C(C#N)=N/OC
InChIInChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
InChIKeyXERJKGMBORTKEO-VZUCSPMQSA-N
XLogP-0.64
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.64
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'}

Analyze (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 154103046
(2-cyano-2-methoxyiminoacetyl)carbamic acid
CID 91248442
2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide
CID 91361912
(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88846142
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 87993525
N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)aniline;(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88721475
N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
CID 54155508
2-(buta-2,3-dienylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88683228
2-(5-cyanopentylcarbamoylamino)-N-hexoxy-2-oxoethanimidoyl cyanide
CID 54044911
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-3-methylsulfonylpropanoic acid
CID 23274937
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-4-methylsulfonylbutanoic acid
CID 23275236
(1E)-N-methoxy-2-oxo-2-[(2E)-2-(2,2,2-trichloroethylidene)hydrazinyl]ethanimidoyl cyanide
CID 117063855

Frequently Asked Questions

What is the IUPAC name of (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The IUPAC name of (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (CID 5364079) is (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide.
What is the SMILES notation for (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The canonical SMILES for (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is CCNC(=O)NC(=O)/C(C#N)=N/OC.
What is the InChIKey of (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
The InChIKey is XERJKGMBORTKEO-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+.
What are the key properties of (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide has a molecular weight of 198.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 5364079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).