1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone

C7H11N3O — CID 167740587

IUPAC1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C2(C)N=N2)C1
InChIInChI=1S/C7H11N3O/c1-5(11)10-3-6(4-10)7(2)8-9-7/h6H,3-4H2,1-2H3
InChIKeySZSVFPUTBRTLNJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.65
Rot. Bonds1

About 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone

1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone (PubChem CID 167740587) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone
PubChem CID167740587
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C2(C)N=N2)C1
InChIInChI=1S/C7H11N3O/c1-5(11)10-3-6(4-10)7(2)8-9-7/h6H,3-4H2,1-2H3
InChIKeySZSVFPUTBRTLNJ-UHFFFAOYSA-N
XLogP0.65
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone (CID 167740587) is 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone is CC(=O)N1CC(C2(C)N=N2)C1.
What is the InChIKey of 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone?
The InChIKey is SZSVFPUTBRTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(11)10-3-6(4-10)7(2)8-9-7/h6H,3-4H2,1-2H3.
What are the key properties of 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone?
1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyldiazirin-3-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 167740587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).