2-cyano-2-hydroxyimino-N-methylacetamide

C4H5N3O2 — CID 71366427

IUPAC2-cyano-2-hydroxyimino-N-methylacetamide
SMILESCNC(=O)C(C#N)=NO
InChIInChI=1S/C4H5N3O2/c1-6-4(8)3(2-5)7-9/h9H,1H3,(H,6,8)
InChIKeyLNSWHHYDHVLALZ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.91
Rot. Bonds1

About 2-cyano-2-hydroxyimino-N-methylacetamide

2-cyano-2-hydroxyimino-N-methylacetamide (PubChem CID 71366427) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-cyano-2-hydroxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-2-hydroxyimino-N-methylacetamide
PubChem CID71366427
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-cyano-2-hydroxyimino-N-methylacetamide
SMILESCNC(=O)C(C#N)=NO
InChIInChI=1S/C4H5N3O2/c1-6-4(8)3(2-5)7-9/h9H,1H3,(H,6,8)
InChIKeyLNSWHHYDHVLALZ-UHFFFAOYSA-N
XLogP-0.91
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-cyano-2-hydroxyimino-N-methylacetamide?
The IUPAC name of 2-cyano-2-hydroxyimino-N-methylacetamide (CID 71366427) is 2-cyano-2-hydroxyimino-N-methylacetamide.
What is the SMILES notation for 2-cyano-2-hydroxyimino-N-methylacetamide?
The canonical SMILES for 2-cyano-2-hydroxyimino-N-methylacetamide is CNC(=O)C(C#N)=NO.
What is the InChIKey of 2-cyano-2-hydroxyimino-N-methylacetamide?
The InChIKey is LNSWHHYDHVLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c1-6-4(8)3(2-5)7-9/h9H,1H3,(H,6,8).
What are the key properties of 2-cyano-2-hydroxyimino-N-methylacetamide?
2-cyano-2-hydroxyimino-N-methylacetamide has a molecular weight of 127.10 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-hydroxyimino-N-methylacetamide is sourced from PubChem (CID 71366427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).