6,6-dimethyl-1,4-oxazepan-3-one

C7H13NO2 — CID 149324923

IUPAC6,6-dimethyl-1,4-oxazepan-3-one
SMILESCC1(C)CNC(=O)COC1
InChIInChI=1S/C7H13NO2/c1-7(2)4-8-6(9)3-10-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyYBEHUHINOKXMBC-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds

About 6,6-dimethyl-1,4-oxazepan-3-one

6,6-dimethyl-1,4-oxazepan-3-one (PubChem CID 149324923) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 6,6-dimethyl-1,4-oxazepan-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1,4-oxazepan-3-one
PubChem CID149324923
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name6,6-dimethyl-1,4-oxazepan-3-one
SMILESCC1(C)CNC(=O)COC1
InChIInChI=1S/C7H13NO2/c1-7(2)4-8-6(9)3-10-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyYBEHUHINOKXMBC-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4-oxazepan-3-one?
The IUPAC name of 6,6-dimethyl-1,4-oxazepan-3-one (CID 149324923) is 6,6-dimethyl-1,4-oxazepan-3-one.
What is the SMILES notation for 6,6-dimethyl-1,4-oxazepan-3-one?
The canonical SMILES for 6,6-dimethyl-1,4-oxazepan-3-one is CC1(C)CNC(=O)COC1.
What is the InChIKey of 6,6-dimethyl-1,4-oxazepan-3-one?
The InChIKey is YBEHUHINOKXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-8-6(9)3-10-5-7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 6,6-dimethyl-1,4-oxazepan-3-one?
6,6-dimethyl-1,4-oxazepan-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4-oxazepan-3-one is sourced from PubChem (CID 149324923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).