1,4-oxazocan-5-one

C6H11NO2 — CID 86068179

IUPAC1,4-oxazocan-5-one
SMILESO=C1CCCOCCN1
InChIInChI=1S/C6H11NO2/c8-6-2-1-4-9-5-3-7-6/h1-5H2,(H,7,8)
InChIKeyIDBCRKJUTQYOKZ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds

About 1,4-oxazocan-5-one

1,4-oxazocan-5-one (PubChem CID 86068179) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1,4-oxazocan-5-one.

Molecular Properties

Compound Name1,4-oxazocan-5-one
PubChem CID86068179
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1,4-oxazocan-5-one
SMILESO=C1CCCOCCN1
InChIInChI=1S/C6H11NO2/c8-6-2-1-4-9-5-3-7-6/h1-5H2,(H,7,8)
InChIKeyIDBCRKJUTQYOKZ-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-oxazocan-5-one?
The IUPAC name of 1,4-oxazocan-5-one (CID 86068179) is 1,4-oxazocan-5-one.
What is the SMILES notation for 1,4-oxazocan-5-one?
The canonical SMILES for 1,4-oxazocan-5-one is O=C1CCCOCCN1.
What is the InChIKey of 1,4-oxazocan-5-one?
The InChIKey is IDBCRKJUTQYOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6-2-1-4-9-5-3-7-6/h1-5H2,(H,7,8).
What are the key properties of 1,4-oxazocan-5-one?
1,4-oxazocan-5-one has a molecular weight of 129.16 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazocan-5-one is sourced from PubChem (CID 86068179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).