morpholine-4-carboximidoylurea

C6H12N4O2 — CID 138962985

IUPACmorpholine-4-carboximidoylurea
SMILES[H]/N=C(\NC(N)=O)N1CCOCC1
InChIInChI=1S/C6H12N4O2/c7-5(9-6(8)11)10-1-3-12-4-2-10/h1-4H2,(H4,7,8,9,11)
InChIKeyVDXGNZMOVFTXED-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.08
Rot. Bonds

About morpholine-4-carboximidoylurea

morpholine-4-carboximidoylurea (PubChem CID 138962985) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is morpholine-4-carboximidoylurea.

Molecular Properties

Compound Namemorpholine-4-carboximidoylurea
PubChem CID138962985
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Namemorpholine-4-carboximidoylurea
SMILES[H]/N=C(\NC(N)=O)N1CCOCC1
InChIInChI=1S/C6H12N4O2/c7-5(9-6(8)11)10-1-3-12-4-2-10/h1-4H2,(H4,7,8,9,11)
InChIKeyVDXGNZMOVFTXED-UHFFFAOYSA-N
XLogP-1.08
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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-carboximidoylurea?
The IUPAC name of morpholine-4-carboximidoylurea (CID 138962985) is morpholine-4-carboximidoylurea.
What is the SMILES notation for morpholine-4-carboximidoylurea?
The canonical SMILES for morpholine-4-carboximidoylurea is [H]/N=C(\NC(N)=O)N1CCOCC1.
What is the InChIKey of morpholine-4-carboximidoylurea?
The InChIKey is VDXGNZMOVFTXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-5(9-6(8)11)10-1-3-12-4-2-10/h1-4H2,(H4,7,8,9,11).
What are the key properties of morpholine-4-carboximidoylurea?
morpholine-4-carboximidoylurea has a molecular weight of 172.19 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carboximidoylurea is sourced from PubChem (CID 138962985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).