2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide

C6H7N3O3 — CID 91361912

IUPAC2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCON=C(C#N)C(=O)NC(C)=O
InChIInChI=1S/C6H7N3O3/c1-4(10)8-6(11)5(3-7)9-12-2/h1-2H3,(H,8,10,11)
InChIKeyFQDRCTHNEVCTDB-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.82
Rot. Bonds2

About 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide

2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide (PubChem CID 91361912) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide
PubChem CID91361912
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide
SMILESCON=C(C#N)C(=O)NC(C)=O
InChIInChI=1S/C6H7N3O3/c1-4(10)8-6(11)5(3-7)9-12-2/h1-2H3,(H,8,10,11)
InChIKeyFQDRCTHNEVCTDB-UHFFFAOYSA-N
XLogP-0.82
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
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-cyano-2-methoxyiminoacetyl)carbamic acid
CID 91248442
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 5364079
(1Z)-2-(cyclopropylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88846142
2-(cyclopropylmethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 154103046
N-methoxy-2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethanimidoyl cyanide
CID 54155508
(1E)-N-methoxy-2-oxo-2-[(2E)-2-(2,2,2-trichloroethylidene)hydrazinyl]ethanimidoyl cyanide
CID 117063855
2-(buta-2,3-dienylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 88683228
[(Z)-[1-cyano-2-(methylamino)-2-oxoethylidene]amino] acetate
CID 21409341
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-3-methylsulfonylpropanoic acid
CID 23274937
2-[[(2Z)-2-cyano-2-methoxyiminoacetyl]amino]-4-methylsulfonylbutanoic acid
CID 23275236
N-methoxy-2-oxo-2-[[4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]ethanimidoyl cyanide
CID 57069423
(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
CID 134122207

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide?
The IUPAC name of 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide (CID 91361912) is 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide.
What is the SMILES notation for 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide?
The canonical SMILES for 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide is CON=C(C#N)C(=O)NC(C)=O.
What is the InChIKey of 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide?
The InChIKey is FQDRCTHNEVCTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-4(10)8-6(11)5(3-7)9-12-2/h1-2H3,(H,8,10,11).
What are the key properties of 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide?
2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide has a molecular weight of 169.14 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methoxy-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 91361912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).