N-(3-methyl-2-oxooxan-3-yl)acetamide

C8H13NO3 — CID 54276276

IUPACN-(3-methyl-2-oxooxan-3-yl)acetamide
SMILESCC(=O)NC1(C)CCCOC1=O
InChIInChI=1S/C8H13NO3/c1-6(10)9-8(2)4-3-5-12-7(8)11/h3-5H2,1-2H3,(H,9,10)
InChIKeyRNQHNURAOFYTAN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds1

About N-(3-methyl-2-oxooxan-3-yl)acetamide

N-(3-methyl-2-oxooxan-3-yl)acetamide (PubChem CID 54276276) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(3-methyl-2-oxooxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxooxan-3-yl)acetamide
PubChem CID54276276
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-(3-methyl-2-oxooxan-3-yl)acetamide
SMILESCC(=O)NC1(C)CCCOC1=O
InChIInChI=1S/C8H13NO3/c1-6(10)9-8(2)4-3-5-12-7(8)11/h3-5H2,1-2H3,(H,9,10)
InChIKeyRNQHNURAOFYTAN-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxooxan-3-yl)acetamide?
The IUPAC name of N-(3-methyl-2-oxooxan-3-yl)acetamide (CID 54276276) is N-(3-methyl-2-oxooxan-3-yl)acetamide.
What is the SMILES notation for N-(3-methyl-2-oxooxan-3-yl)acetamide?
The canonical SMILES for N-(3-methyl-2-oxooxan-3-yl)acetamide is CC(=O)NC1(C)CCCOC1=O.
What is the InChIKey of N-(3-methyl-2-oxooxan-3-yl)acetamide?
The InChIKey is RNQHNURAOFYTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)9-8(2)4-3-5-12-7(8)11/h3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(3-methyl-2-oxooxan-3-yl)acetamide?
N-(3-methyl-2-oxooxan-3-yl)acetamide has a molecular weight of 171.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxooxan-3-yl)acetamide is sourced from PubChem (CID 54276276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).