N-methyl-N-(oxiran-2-yl)acetamide

C5H9NO2 — CID 87931799

IUPACN-methyl-N-(oxiran-2-yl)acetamide
SMILESCC(=O)N(C)C1CO1
InChIInChI=1S/C5H9NO2/c1-4(7)6(2)5-3-8-5/h5H,3H2,1-2H3
InChIKeyIIYLGCVCOUKXIA-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.18
Rot. Bonds1

About N-methyl-N-(oxiran-2-yl)acetamide

N-methyl-N-(oxiran-2-yl)acetamide (PubChem CID 87931799) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-methyl-N-(oxiran-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxiran-2-yl)acetamide
PubChem CID87931799
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-methyl-N-(oxiran-2-yl)acetamide
SMILESCC(=O)N(C)C1CO1
InChIInChI=1S/C5H9NO2/c1-4(7)6(2)5-3-8-5/h5H,3H2,1-2H3
InChIKeyIIYLGCVCOUKXIA-UHFFFAOYSA-N
XLogP-0.18
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxiran-2-yl)acetamide?
The IUPAC name of N-methyl-N-(oxiran-2-yl)acetamide (CID 87931799) is N-methyl-N-(oxiran-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(oxiran-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(oxiran-2-yl)acetamide is CC(=O)N(C)C1CO1.
What is the InChIKey of N-methyl-N-(oxiran-2-yl)acetamide?
The InChIKey is IIYLGCVCOUKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(7)6(2)5-3-8-5/h5H,3H2,1-2H3.
What are the key properties of N-methyl-N-(oxiran-2-yl)acetamide?
N-methyl-N-(oxiran-2-yl)acetamide has a molecular weight of 115.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxiran-2-yl)acetamide is sourced from PubChem (CID 87931799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).