2-(oxan-4-yl)acetamide

C7H13NO2 — CID 55265493

IUPAC2-(oxan-4-yl)acetamide
SMILESNC(=O)CC1CCOCC1
InChIInChI=1S/C7H13NO2/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,8,9)
InChIKeyIIPOZVLOXPIXKG-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds2

About 2-(oxan-4-yl)acetamide

2-(oxan-4-yl)acetamide (PubChem CID 55265493) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)acetamide
PubChem CID55265493
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(oxan-4-yl)acetamide
SMILESNC(=O)CC1CCOCC1
InChIInChI=1S/C7H13NO2/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,8,9)
InChIKeyIIPOZVLOXPIXKG-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)acetamide?
The IUPAC name of 2-(oxan-4-yl)acetamide (CID 55265493) is 2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(oxan-4-yl)acetamide is NC(=O)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)acetamide?
The InChIKey is IIPOZVLOXPIXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H2,8,9).
What are the key properties of 2-(oxan-4-yl)acetamide?
2-(oxan-4-yl)acetamide has a molecular weight of 143.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)acetamide is sourced from PubChem (CID 55265493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).