N-[(2-methylaziridin-2-yl)methyl]acetamide

C6H12N2O — CID 89009988

IUPACN-[(2-methylaziridin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1(C)CN1
InChIInChI=1S/C6H12N2O/c1-5(9)7-3-6(2)4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKeyGETNLBFMUOHFSM-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.52
Rot. Bonds2

About N-[(2-methylaziridin-2-yl)methyl]acetamide

N-[(2-methylaziridin-2-yl)methyl]acetamide (PubChem CID 89009988) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-[(2-methylaziridin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methylaziridin-2-yl)methyl]acetamide
PubChem CID89009988
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-[(2-methylaziridin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1(C)CN1
InChIInChI=1S/C6H12N2O/c1-5(9)7-3-6(2)4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKeyGETNLBFMUOHFSM-UHFFFAOYSA-N
XLogP-0.52
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-methylaziridin-2-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-[(2-methylaziridin-2-yl)methyl]acetamide?
The IUPAC name of N-[(2-methylaziridin-2-yl)methyl]acetamide (CID 89009988) is N-[(2-methylaziridin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methylaziridin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methylaziridin-2-yl)methyl]acetamide is CC(=O)NCC1(C)CN1.
What is the InChIKey of N-[(2-methylaziridin-2-yl)methyl]acetamide?
The InChIKey is GETNLBFMUOHFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(9)7-3-6(2)4-8-6/h8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-[(2-methylaziridin-2-yl)methyl]acetamide?
N-[(2-methylaziridin-2-yl)methyl]acetamide has a molecular weight of 128.17 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylaziridin-2-yl)methyl]acetamide is sourced from PubChem (CID 89009988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).