N-[(3-methyldiaziridin-3-yl)methyl]acetamide

C5H11N3O — CID 71666038

IUPACN-[(3-methyldiaziridin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(C)NN1
InChIInChI=1S/C5H11N3O/c1-4(9)6-3-5(2)7-8-5/h7-8H,3H2,1-2H3,(H,6,9)
InChIKeyAOZBDJKOZVMEAA-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.05
Rot. Bonds2

About N-[(3-methyldiaziridin-3-yl)methyl]acetamide

N-[(3-methyldiaziridin-3-yl)methyl]acetamide (PubChem CID 71666038) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[(3-methyldiaziridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methyldiaziridin-3-yl)methyl]acetamide
PubChem CID71666038
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-[(3-methyldiaziridin-3-yl)methyl]acetamide
SMILESCC(=O)NCC1(C)NN1
InChIInChI=1S/C5H11N3O/c1-4(9)6-3-5(2)7-8-5/h7-8H,3H2,1-2H3,(H,6,9)
InChIKeyAOZBDJKOZVMEAA-UHFFFAOYSA-N
XLogP-1.05
TPSA72.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[(3-methyldiaziridin-3-yl)methyl]acetamide 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 N-[(3-methyldiaziridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(3-methyldiaziridin-3-yl)methyl]acetamide (CID 71666038) is N-[(3-methyldiaziridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methyldiaziridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methyldiaziridin-3-yl)methyl]acetamide is CC(=O)NCC1(C)NN1.
What is the InChIKey of N-[(3-methyldiaziridin-3-yl)methyl]acetamide?
The InChIKey is AOZBDJKOZVMEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-4(9)6-3-5(2)7-8-5/h7-8H,3H2,1-2H3,(H,6,9).
What are the key properties of N-[(3-methyldiaziridin-3-yl)methyl]acetamide?
N-[(3-methyldiaziridin-3-yl)methyl]acetamide has a molecular weight of 129.16 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyldiaziridin-3-yl)methyl]acetamide is sourced from PubChem (CID 71666038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).