2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide

C7H13N3O — CID 20715800

IUPAC2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1C(=O)N(C)C1C
InChIInChI=1S/C7H13N3O/c1-4-5(3-6(8)9)7(11)10(4)2/h4-5H,3H2,1-2H3,(H3,8,9)
InChIKeyPPTPYHSUVJMBGZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.21
Rot. Bonds2

About 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide

2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide (PubChem CID 20715800) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide
PubChem CID20715800
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1C(=O)N(C)C1C
InChIInChI=1S/C7H13N3O/c1-4-5(3-6(8)9)7(11)10(4)2/h4-5H,3H2,1-2H3,(H3,8,9)
InChIKeyPPTPYHSUVJMBGZ-UHFFFAOYSA-N
XLogP-0.21
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.21
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-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide?
The IUPAC name of 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide (CID 20715800) is 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide.
What is the SMILES notation for 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide?
The canonical SMILES for 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide is [H]/N=C(\N)CC1C(=O)N(C)C1C.
What is the InChIKey of 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide?
The InChIKey is PPTPYHSUVJMBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-5(3-6(8)9)7(11)10(4)2/h4-5H,3H2,1-2H3,(H3,8,9).
What are the key properties of 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide?
2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-4-oxoazetidin-3-yl)ethanimidamide is sourced from PubChem (CID 20715800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).