7-(5-oxooxolan-2-yl)azepan-2-one

C10H15NO3 — CID 57057540

IUPAC7-(5-oxooxolan-2-yl)azepan-2-one
SMILESO=C1CCCCC(C2CCC(=O)O2)N1
InChIInChI=1S/C10H15NO3/c12-9-4-2-1-3-7(11-9)8-5-6-10(13)14-8/h7-8H,1-6H2,(H,11,12)
InChIKeyJUPQEAHRHGMJST-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.75
Rot. Bonds1

About 7-(5-oxooxolan-2-yl)azepan-2-one

7-(5-oxooxolan-2-yl)azepan-2-one (PubChem CID 57057540) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 7-(5-oxooxolan-2-yl)azepan-2-one.

Molecular Properties

Compound Name7-(5-oxooxolan-2-yl)azepan-2-one
PubChem CID57057540
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name7-(5-oxooxolan-2-yl)azepan-2-one
SMILESO=C1CCCCC(C2CCC(=O)O2)N1
InChIInChI=1S/C10H15NO3/c12-9-4-2-1-3-7(11-9)8-5-6-10(13)14-8/h7-8H,1-6H2,(H,11,12)
InChIKeyJUPQEAHRHGMJST-UHFFFAOYSA-N
XLogP0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-oxooxolan-2-yl)azepan-2-one?
The IUPAC name of 7-(5-oxooxolan-2-yl)azepan-2-one (CID 57057540) is 7-(5-oxooxolan-2-yl)azepan-2-one.
What is the SMILES notation for 7-(5-oxooxolan-2-yl)azepan-2-one?
The canonical SMILES for 7-(5-oxooxolan-2-yl)azepan-2-one is O=C1CCCCC(C2CCC(=O)O2)N1.
What is the InChIKey of 7-(5-oxooxolan-2-yl)azepan-2-one?
The InChIKey is JUPQEAHRHGMJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-4-2-1-3-7(11-9)8-5-6-10(13)14-8/h7-8H,1-6H2,(H,11,12).
What are the key properties of 7-(5-oxooxolan-2-yl)azepan-2-one?
7-(5-oxooxolan-2-yl)azepan-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-oxooxolan-2-yl)azepan-2-one is sourced from PubChem (CID 57057540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).