2-oxoazetidine-1-carboximidamide

C4H7N3O — CID 118484842

IUPAC2-oxoazetidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC1=O
InChIInChI=1S/C4H7N3O/c5-4(6)7-2-1-3(7)8/h1-2H2,(H3,5,6)
InChIKeyOUZNXOQCEKMCQZ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.89
Rot. Bonds

About 2-oxoazetidine-1-carboximidamide

2-oxoazetidine-1-carboximidamide (PubChem CID 118484842) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-oxoazetidine-1-carboximidamide.

Molecular Properties

Compound Name2-oxoazetidine-1-carboximidamide
PubChem CID118484842
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-oxoazetidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC1=O
InChIInChI=1S/C4H7N3O/c5-4(6)7-2-1-3(7)8/h1-2H2,(H3,5,6)
InChIKeyOUZNXOQCEKMCQZ-UHFFFAOYSA-N
XLogP-0.89
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-oxoazetidine-1-carboximidamide?
The IUPAC name of 2-oxoazetidine-1-carboximidamide (CID 118484842) is 2-oxoazetidine-1-carboximidamide.
What is the SMILES notation for 2-oxoazetidine-1-carboximidamide?
The canonical SMILES for 2-oxoazetidine-1-carboximidamide is [H]/N=C(\N)N1CCC1=O.
What is the InChIKey of 2-oxoazetidine-1-carboximidamide?
The InChIKey is OUZNXOQCEKMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-4(6)7-2-1-3(7)8/h1-2H2,(H3,5,6).
What are the key properties of 2-oxoazetidine-1-carboximidamide?
2-oxoazetidine-1-carboximidamide has a molecular weight of 113.12 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoazetidine-1-carboximidamide is sourced from PubChem (CID 118484842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).