3-morpholin-4-yl-3-oxopropanimidamide

C7H13N3O2 — CID 59789766

IUPAC3-morpholin-4-yl-3-oxopropanimidamide
SMILES[H]/N=C(\N)CC(=O)N1CCOCC1
InChIInChI=1S/C7H13N3O2/c8-6(9)5-7(11)10-1-3-12-4-2-10/h1-5H2,(H3,8,9)
InChIKeyCUHUIDAPTRNXNP-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.83
Rot. Bonds2

About 3-morpholin-4-yl-3-oxopropanimidamide

3-morpholin-4-yl-3-oxopropanimidamide (PubChem CID 59789766) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-oxopropanimidamide.

Molecular Properties

Compound Name3-morpholin-4-yl-3-oxopropanimidamide
PubChem CID59789766
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-morpholin-4-yl-3-oxopropanimidamide
SMILES[H]/N=C(\N)CC(=O)N1CCOCC1
InChIInChI=1S/C7H13N3O2/c8-6(9)5-7(11)10-1-3-12-4-2-10/h1-5H2,(H3,8,9)
InChIKeyCUHUIDAPTRNXNP-UHFFFAOYSA-N
XLogP-0.83
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
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-morpholin-4-yl-3-oxopropanimidamide?
The IUPAC name of 3-morpholin-4-yl-3-oxopropanimidamide (CID 59789766) is 3-morpholin-4-yl-3-oxopropanimidamide.
What is the SMILES notation for 3-morpholin-4-yl-3-oxopropanimidamide?
The canonical SMILES for 3-morpholin-4-yl-3-oxopropanimidamide is [H]/N=C(\N)CC(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-3-oxopropanimidamide?
The InChIKey is CUHUIDAPTRNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-6(9)5-7(11)10-1-3-12-4-2-10/h1-5H2,(H3,8,9).
What are the key properties of 3-morpholin-4-yl-3-oxopropanimidamide?
3-morpholin-4-yl-3-oxopropanimidamide has a molecular weight of 171.20 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-oxopropanimidamide is sourced from PubChem (CID 59789766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).