1-(2-phenoxyethyl)azepan-2-one

C14H19NO2 — CID 10513813

IUPAC1-(2-phenoxyethyl)azepan-2-one
SMILESO=C1CCCCCN1CCOc1ccccc1
InChIInChI=1S/C14H19NO2/c16-14-9-5-2-6-10-15(14)11-12-17-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyYQSZXIAOJORHSQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-phenoxyethyl)azepan-2-one

1-(2-phenoxyethyl)azepan-2-one (PubChem CID 10513813) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)azepan-2-one.

Molecular Properties

Compound Name1-(2-phenoxyethyl)azepan-2-one
PubChem CID10513813
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-phenoxyethyl)azepan-2-one
SMILESO=C1CCCCCN1CCOc1ccccc1
InChIInChI=1S/C14H19NO2/c16-14-9-5-2-6-10-15(14)11-12-17-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyYQSZXIAOJORHSQ-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
CID 70755856
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)azepan-2-one?
The IUPAC name of 1-(2-phenoxyethyl)azepan-2-one (CID 10513813) is 1-(2-phenoxyethyl)azepan-2-one.
What is the SMILES notation for 1-(2-phenoxyethyl)azepan-2-one?
The canonical SMILES for 1-(2-phenoxyethyl)azepan-2-one is O=C1CCCCCN1CCOc1ccccc1.
What is the InChIKey of 1-(2-phenoxyethyl)azepan-2-one?
The InChIKey is YQSZXIAOJORHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14-9-5-2-6-10-15(14)11-12-17-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 1-(2-phenoxyethyl)azepan-2-one?
1-(2-phenoxyethyl)azepan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)azepan-2-one is sourced from PubChem (CID 10513813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).