3-hydroxymorpholine-4-carboximidamide

C5H11N3O2 — CID 89421984

IUPAC3-hydroxymorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1O
InChIInChI=1S/C5H11N3O2/c6-5(7)8-1-2-10-3-4(8)9/h4,9H,1-3H2,(H3,6,7)
InChIKeyVGQFHOODDUPKKV-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.47
Rot. Bonds

About 3-hydroxymorpholine-4-carboximidamide

3-hydroxymorpholine-4-carboximidamide (PubChem CID 89421984) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-hydroxymorpholine-4-carboximidamide.

Molecular Properties

Compound Name3-hydroxymorpholine-4-carboximidamide
PubChem CID89421984
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name3-hydroxymorpholine-4-carboximidamide
SMILES[H]/N=C(\N)N1CCOCC1O
InChIInChI=1S/C5H11N3O2/c6-5(7)8-1-2-10-3-4(8)9/h4,9H,1-3H2,(H3,6,7)
InChIKeyVGQFHOODDUPKKV-UHFFFAOYSA-N
XLogP-1.47
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.47
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 3-hydroxymorpholine-4-carboximidamide?
The IUPAC name of 3-hydroxymorpholine-4-carboximidamide (CID 89421984) is 3-hydroxymorpholine-4-carboximidamide.
What is the SMILES notation for 3-hydroxymorpholine-4-carboximidamide?
The canonical SMILES for 3-hydroxymorpholine-4-carboximidamide is [H]/N=C(\N)N1CCOCC1O.
What is the InChIKey of 3-hydroxymorpholine-4-carboximidamide?
The InChIKey is VGQFHOODDUPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-5(7)8-1-2-10-3-4(8)9/h4,9H,1-3H2,(H3,6,7).
What are the key properties of 3-hydroxymorpholine-4-carboximidamide?
3-hydroxymorpholine-4-carboximidamide has a molecular weight of 145.16 g/mol, XLogP of -1.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxymorpholine-4-carboximidamide is sourced from PubChem (CID 89421984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).