3-(oxolan-2-ylmethyl)azepan-2-one

C11H19NO2 — CID 18800845

IUPAC3-(oxolan-2-ylmethyl)azepan-2-one
SMILESO=C1NCCCCC1CC1CCCO1
InChIInChI=1S/C11H19NO2/c13-11-9(4-1-2-6-12-11)8-10-5-3-7-14-10/h9-10H,1-8H2,(H,12,13)
InChIKeyVAYUEHBCFLYVJQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)azepan-2-one

3-(oxolan-2-ylmethyl)azepan-2-one (PubChem CID 18800845) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)azepan-2-one
PubChem CID18800845
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(oxolan-2-ylmethyl)azepan-2-one
SMILESO=C1NCCCCC1CC1CCCO1
InChIInChI=1S/C11H19NO2/c13-11-9(4-1-2-6-12-11)8-10-5-3-7-14-10/h9-10H,1-8H2,(H,12,13)
InChIKeyVAYUEHBCFLYVJQ-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)azepan-2-one?
The IUPAC name of 3-(oxolan-2-ylmethyl)azepan-2-one (CID 18800845) is 3-(oxolan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 3-(oxolan-2-ylmethyl)azepan-2-one is O=C1NCCCCC1CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)azepan-2-one?
The InChIKey is VAYUEHBCFLYVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-9(4-1-2-6-12-11)8-10-5-3-7-14-10/h9-10H,1-8H2,(H,12,13).
What are the key properties of 3-(oxolan-2-ylmethyl)azepan-2-one?
3-(oxolan-2-ylmethyl)azepan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 18800845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).