5,5-dimethyl-1,3-oxazepan-2-one;ethane

C9H19NO2 — CID 143321843

IUPAC5,5-dimethyl-1,3-oxazepan-2-one;ethane
SMILESCC.CC1(C)CCOC(=O)NC1
InChIInChI=1S/C7H13NO2.C2H6/c1-7(2)3-4-10-6(9)8-5-7;1-2/h3-5H2,1-2H3,(H,8,9);1-2H3
InChIKeyKXZVWDISXXWVHC-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.17
Rot. Bonds

About 5,5-dimethyl-1,3-oxazepan-2-one;ethane

5,5-dimethyl-1,3-oxazepan-2-one;ethane (PubChem CID 143321843) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-oxazepan-2-one;ethane.

Molecular Properties

Compound Name5,5-dimethyl-1,3-oxazepan-2-one;ethane
PubChem CID143321843
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5,5-dimethyl-1,3-oxazepan-2-one;ethane
SMILESCC.CC1(C)CCOC(=O)NC1
InChIInChI=1S/C7H13NO2.C2H6/c1-7(2)3-4-10-6(9)8-5-7;1-2/h3-5H2,1-2H3,(H,8,9);1-2H3
InChIKeyKXZVWDISXXWVHC-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropane;1,3-oxazolidin-2-one
CID 143049841
6,6-dimethyl-1,4-oxazepane-2,3-dione
CID 143776070
1,3-oxazolidin-2-one;hydrate
CID 141149411
1,3-oxazolidin-2-one;stannane
CID 173239925
5-(4,4-dimethylcyclohexyl)-1,3-oxazolidin-2-one
CID 130596283
4,4-dideuterio-1,3-oxazolidin-2-one
CID 175979069
ethane;2-methoxypropane;1,3-oxazolidin-2-one
CID 177227287
4-methyl-4-phenyl-1,3-oxazinan-2-one
CID 105444856
bis(1,3-oxazolidin-2-one);piperazine
CID 66663438
pentane;3,3,6,6-tetramethylazepan-2-one
CID 142516507
6,6-dimethyl-1,4-oxazepan-3-one
CID 149324923
acetyl chloride;1,3-oxazolidin-2-one
CID 22468284

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-oxazepan-2-one;ethane?
The IUPAC name of 5,5-dimethyl-1,3-oxazepan-2-one;ethane (CID 143321843) is 5,5-dimethyl-1,3-oxazepan-2-one;ethane.
What is the SMILES notation for 5,5-dimethyl-1,3-oxazepan-2-one;ethane?
The canonical SMILES for 5,5-dimethyl-1,3-oxazepan-2-one;ethane is CC.CC1(C)CCOC(=O)NC1.
What is the InChIKey of 5,5-dimethyl-1,3-oxazepan-2-one;ethane?
The InChIKey is KXZVWDISXXWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-7(2)3-4-10-6(9)8-5-7;1-2/h3-5H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of 5,5-dimethyl-1,3-oxazepan-2-one;ethane?
5,5-dimethyl-1,3-oxazepan-2-one;ethane has a molecular weight of 173.26 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-oxazepan-2-one;ethane is sourced from PubChem (CID 143321843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).