2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide

C7H13NO4 — CID 166732225

IUPAC2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
SMILESNC(=O)CC1COC(CO)OC1
InChIInChI=1S/C7H13NO4/c8-6(10)1-5-3-11-7(2-9)12-4-5/h5,7,9H,1-4H2,(H2,8,10)
InChIKeyDWGRPQKNGHMEIY-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.16
Rot. Bonds3

About 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide

2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide (PubChem CID 166732225) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
PubChem CID166732225
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide
SMILESNC(=O)CC1COC(CO)OC1
InChIInChI=1S/C7H13NO4/c8-6(10)1-5-3-11-7(2-9)12-4-5/h5,7,9H,1-4H2,(H2,8,10)
InChIKeyDWGRPQKNGHMEIY-UHFFFAOYSA-N
XLogP-1.16
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide (CID 166732225) is 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide is NC(=O)CC1COC(CO)OC1.
What is the InChIKey of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
The InChIKey is DWGRPQKNGHMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c8-6(10)1-5-3-11-7(2-9)12-4-5/h5,7,9H,1-4H2,(H2,8,10).
What are the key properties of 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide?
2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide has a molecular weight of 175.18 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-1,3-dioxan-5-yl]acetamide is sourced from PubChem (CID 166732225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).