2-(2H-pyran-4-yl)acetamide

C7H9NO2 — CID 90714712

IUPAC2-(2H-pyran-4-yl)acetamide
SMILESNC(=O)CC1=CCOC=C1
InChIInChI=1S/C7H9NO2/c8-7(9)5-6-1-3-10-4-2-6/h1-3H,4-5H2,(H2,8,9)
InChIKeyYMMZMUFJGTVHDG-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.33
Rot. Bonds2

About 2-(2H-pyran-4-yl)acetamide

2-(2H-pyran-4-yl)acetamide (PubChem CID 90714712) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(2H-pyran-4-yl)acetamide.

Molecular Properties

Compound Name2-(2H-pyran-4-yl)acetamide
PubChem CID90714712
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(2H-pyran-4-yl)acetamide
SMILESNC(=O)CC1=CCOC=C1
InChIInChI=1S/C7H9NO2/c8-7(9)5-6-1-3-10-4-2-6/h1-3H,4-5H2,(H2,8,9)
InChIKeyYMMZMUFJGTVHDG-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-4-yl)acetamide?
The IUPAC name of 2-(2H-pyran-4-yl)acetamide (CID 90714712) is 2-(2H-pyran-4-yl)acetamide.
What is the SMILES notation for 2-(2H-pyran-4-yl)acetamide?
The canonical SMILES for 2-(2H-pyran-4-yl)acetamide is NC(=O)CC1=CCOC=C1.
What is the InChIKey of 2-(2H-pyran-4-yl)acetamide?
The InChIKey is YMMZMUFJGTVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-7(9)5-6-1-3-10-4-2-6/h1-3H,4-5H2,(H2,8,9).
What are the key properties of 2-(2H-pyran-4-yl)acetamide?
2-(2H-pyran-4-yl)acetamide has a molecular weight of 139.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyran-4-yl)acetamide is sourced from PubChem (CID 90714712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).