2-(methoxymethyl)oxane-4-carboxamide

C8H15NO3 — CID 123828723

IUPAC2-(methoxymethyl)oxane-4-carboxamide
SMILESCOCC1CC(C(N)=O)CCO1
InChIInChI=1S/C8H15NO3/c1-11-5-7-4-6(8(9)10)2-3-12-7/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyPVFXSXCFCHARLI-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.09
Rot. Bonds3

About 2-(methoxymethyl)oxane-4-carboxamide

2-(methoxymethyl)oxane-4-carboxamide (PubChem CID 123828723) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(methoxymethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)oxane-4-carboxamide
PubChem CID123828723
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(methoxymethyl)oxane-4-carboxamide
SMILESCOCC1CC(C(N)=O)CCO1
InChIInChI=1S/C8H15NO3/c1-11-5-7-4-6(8(9)10)2-3-12-7/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyPVFXSXCFCHARLI-UHFFFAOYSA-N
XLogP-0.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)oxane-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)oxane-4-carboxamide (CID 123828723) is 2-(methoxymethyl)oxane-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)oxane-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)oxane-4-carboxamide is COCC1CC(C(N)=O)CCO1.
What is the InChIKey of 2-(methoxymethyl)oxane-4-carboxamide?
The InChIKey is PVFXSXCFCHARLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-5-7-4-6(8(9)10)2-3-12-7/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-(methoxymethyl)oxane-4-carboxamide?
2-(methoxymethyl)oxane-4-carboxamide has a molecular weight of 173.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)oxane-4-carboxamide is sourced from PubChem (CID 123828723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).