N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide

C9H15NO4 — CID 59889638

IUPACN-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide
SMILESCC(=O)NC1=C(O)COC(C)(C)OC1
InChIInChI=1S/C9H15NO4/c1-6(11)10-7-4-13-9(2,3)14-5-8(7)12/h12H,4-5H2,1-3H3,(H,10,11)
InChIKeyGGOSYNQLUNGJDG-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.68
Rot. Bonds1

About N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide

N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide (PubChem CID 59889638) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide
PubChem CID59889638
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide
SMILESCC(=O)NC1=C(O)COC(C)(C)OC1
InChIInChI=1S/C9H15NO4/c1-6(11)10-7-4-13-9(2,3)14-5-8(7)12/h12H,4-5H2,1-3H3,(H,10,11)
InChIKeyGGOSYNQLUNGJDG-UHFFFAOYSA-N
XLogP0.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide?
The IUPAC name of N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide (CID 59889638) is N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide.
What is the SMILES notation for N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide?
The canonical SMILES for N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide is CC(=O)NC1=C(O)COC(C)(C)OC1.
What is the InChIKey of N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide?
The InChIKey is GGOSYNQLUNGJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-6(11)10-7-4-13-9(2,3)14-5-8(7)12/h12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide?
N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide has a molecular weight of 201.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-2,2-dimethyl-4,7-dihydro-1,3-dioxepin-5-yl)acetamide is sourced from PubChem (CID 59889638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).