2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide

C6H5N3O2 — CID 71440030

IUPAC2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide
SMILESC#CCON=C(C#N)C(N)=O
InChIInChI=1S/C6H5N3O2/c1-2-3-11-9-5(4-7)6(8)10/h1H,3H2,(H2,8,10)
InChIKeyYFQZAEFPICDATH-UHFFFAOYSA-N
MW151.12 g/mol
LogP-1.00
Rot. Bonds3

About 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide

2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide (PubChem CID 71440030) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide
PubChem CID71440030
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide
SMILESC#CCON=C(C#N)C(N)=O
InChIInChI=1S/C6H5N3O2/c1-2-3-11-9-5(4-7)6(8)10/h1H,3H2,(H2,8,10)
InChIKeyYFQZAEFPICDATH-UHFFFAOYSA-N
XLogP-1.00
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide?
The IUPAC name of 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide (CID 71440030) is 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide.
What is the SMILES notation for 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide?
The canonical SMILES for 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide is C#CCON=C(C#N)C(N)=O.
What is the InChIKey of 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide?
The InChIKey is YFQZAEFPICDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c1-2-3-11-9-5(4-7)6(8)10/h1H,3H2,(H2,8,10).
What are the key properties of 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide?
2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide has a molecular weight of 151.12 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-oxo-N-prop-2-ynoxyethanimidoyl cyanide is sourced from PubChem (CID 71440030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).