2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide

C6H9N3O2 — CID 71438651

IUPAC2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide
SMILESCC(C)ON=C(C#N)C(N)=O
InChIInChI=1S/C6H9N3O2/c1-4(2)11-9-5(3-7)6(8)10/h4H,1-2H3,(H2,8,10)
InChIKeyRIDCQPROQDTTGV-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.22
Rot. Bonds3

About 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide

2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide (PubChem CID 71438651) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide.

Molecular Properties

Compound Name2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide
PubChem CID71438651
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide
SMILESCC(C)ON=C(C#N)C(N)=O
InChIInChI=1S/C6H9N3O2/c1-4(2)11-9-5(3-7)6(8)10/h4H,1-2H3,(H2,8,10)
InChIKeyRIDCQPROQDTTGV-UHFFFAOYSA-N
XLogP-0.22
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide?
The IUPAC name of 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide (CID 71438651) is 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide.
What is the SMILES notation for 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide?
The canonical SMILES for 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide is CC(C)ON=C(C#N)C(N)=O.
What is the InChIKey of 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide?
The InChIKey is RIDCQPROQDTTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(2)11-9-5(3-7)6(8)10/h4H,1-2H3,(H2,8,10).
What are the key properties of 2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide?
2-amino-2-oxo-N-propan-2-yloxyethanimidoyl cyanide has a molecular weight of 155.16 g/mol, XLogP of -0.22, 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-propan-2-yloxyethanimidoyl cyanide is sourced from PubChem (CID 71438651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).