morpholin-4-ylmethylidenecyanamide

C6H9N3O — CID 87349274

IUPACmorpholin-4-ylmethylidenecyanamide
SMILESN#C/N=C/N1CCOCC1
InChIInChI=1S/C6H9N3O/c7-5-8-6-9-1-3-10-4-2-9/h6H,1-4H2/b8-6+
InChIKeyNOSXEJIAKHVTBJ-SOFGYWHQSA-N
MW139.16 g/mol
LogP-0.17
Rot. Bonds1

About morpholin-4-ylmethylidenecyanamide

morpholin-4-ylmethylidenecyanamide (PubChem CID 87349274) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is morpholin-4-ylmethylidenecyanamide.

Molecular Properties

Compound Namemorpholin-4-ylmethylidenecyanamide
PubChem CID87349274
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Namemorpholin-4-ylmethylidenecyanamide
SMILESN#C/N=C/N1CCOCC1
InChIInChI=1S/C6H9N3O/c7-5-8-6-9-1-3-10-4-2-9/h6H,1-4H2/b8-6+
InChIKeyNOSXEJIAKHVTBJ-SOFGYWHQSA-N
XLogP-0.17
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 morpholin-4-ylmethylidenecyanamide?
The IUPAC name of morpholin-4-ylmethylidenecyanamide (CID 87349274) is morpholin-4-ylmethylidenecyanamide.
What is the SMILES notation for morpholin-4-ylmethylidenecyanamide?
The canonical SMILES for morpholin-4-ylmethylidenecyanamide is N#C/N=C/N1CCOCC1.
What is the InChIKey of morpholin-4-ylmethylidenecyanamide?
The InChIKey is NOSXEJIAKHVTBJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-8-6-9-1-3-10-4-2-9/h6H,1-4H2/b8-6+.
What are the key properties of morpholin-4-ylmethylidenecyanamide?
morpholin-4-ylmethylidenecyanamide has a molecular weight of 139.16 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethylidenecyanamide is sourced from PubChem (CID 87349274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).