morpholine-4-carboximidoyl cyanide

C6H9N3O — CID 10176175

IUPACmorpholine-4-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)N1CCOCC1
InChIInChI=1S/C6H9N3O/c7-5-6(8)9-1-3-10-4-2-9/h8H,1-4H2/b8-6+
InChIKeyVSKPWXZAOUMQOV-SOFGYWHQSA-N
MW139.16 g/mol
LogP-0.18
Rot. Bonds

About morpholine-4-carboximidoyl cyanide

morpholine-4-carboximidoyl cyanide (PubChem CID 10176175) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is morpholine-4-carboximidoyl cyanide.

Molecular Properties

Compound Namemorpholine-4-carboximidoyl cyanide
PubChem CID10176175
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Namemorpholine-4-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)N1CCOCC1
InChIInChI=1S/C6H9N3O/c7-5-6(8)9-1-3-10-4-2-9/h8H,1-4H2/b8-6+
InChIKeyVSKPWXZAOUMQOV-SOFGYWHQSA-N
XLogP-0.18
TPSA60.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine-4-carboximidoyl cyanide?
The IUPAC name of morpholine-4-carboximidoyl cyanide (CID 10176175) is morpholine-4-carboximidoyl cyanide.
What is the SMILES notation for morpholine-4-carboximidoyl cyanide?
The canonical SMILES for morpholine-4-carboximidoyl cyanide is [H]/N=C(\C#N)N1CCOCC1.
What is the InChIKey of morpholine-4-carboximidoyl cyanide?
The InChIKey is VSKPWXZAOUMQOV-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-6(8)9-1-3-10-4-2-9/h8H,1-4H2/b8-6+.
What are the key properties of morpholine-4-carboximidoyl cyanide?
morpholine-4-carboximidoyl cyanide has a molecular weight of 139.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carboximidoyl cyanide is sourced from PubChem (CID 10176175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).