acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide

C7H10N4O2 — CID 173403830

IUPACacetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide
SMILESCC#N.CNC(=O)C(C#N)=NOC
InChIInChI=1S/C5H7N3O2.C2H3N/c1-7-5(9)4(3-6)8-10-2;1-2-3/h1-2H3,(H,7,9);1H3
InChIKeyJAZFEJOQKIRRRF-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.21
Rot. Bonds2

About acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide

acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide (PubChem CID 173403830) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Nameacetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide
PubChem CID173403830
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Nameacetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide
SMILESCC#N.CNC(=O)C(C#N)=NOC
InChIInChI=1S/C5H7N3O2.C2H3N/c1-7-5(9)4(3-6)8-10-2;1-2-3/h1-2H3,(H,7,9);1H3
InChIKeyJAZFEJOQKIRRRF-UHFFFAOYSA-N
XLogP-0.21
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.21
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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Frequently Asked Questions

What is the IUPAC name of acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide?
The IUPAC name of acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide (CID 173403830) is acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide?
The canonical SMILES for acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide is CC#N.CNC(=O)C(C#N)=NOC.
What is the InChIKey of acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide?
The InChIKey is JAZFEJOQKIRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.C2H3N/c1-7-5(9)4(3-6)8-10-2;1-2-3/h1-2H3,(H,7,9);1H3.
What are the key properties of acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide?
acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide has a molecular weight of 182.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N-methoxy-2-(methylamino)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 173403830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).