1-[(2-oxoazepan-1-yl)methyl]azepan-2-one

C13H22N2O2 — CID 11746692

IUPAC1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
SMILESO=C1CCCCCN1CN1CCCCCC1=O
InChIInChI=1S/C13H22N2O2/c16-12-7-3-1-5-9-14(12)11-15-10-6-2-4-8-13(15)17/h1-11H2
InChIKeyKIMQKTJSIVXHTB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.75
Rot. Bonds2

About 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one

1-[(2-oxoazepan-1-yl)methyl]azepan-2-one (PubChem CID 11746692) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one.

Molecular Properties

Compound Name1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
PubChem CID11746692
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
SMILESO=C1CCCCCN1CN1CCCCCC1=O
InChIInChI=1S/C13H22N2O2/c16-12-7-3-1-5-9-14(12)11-15-10-6-2-4-8-13(15)17/h1-11H2
InChIKeyKIMQKTJSIVXHTB-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-prop-2-ynylazocan-2-one
CID 61344680
1-(chloromethyl)azonan-2-one
CID 23348579
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
CID 142011041
1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-2-one
CID 6933438
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-[2-hydroxy-2-[1-hydroxy-2-(2-oxoazepan-1-yl)ethoxy]ethyl]azepan-2-one
CID 165374398

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one?
The IUPAC name of 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one (CID 11746692) is 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one.
What is the SMILES notation for 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one?
The canonical SMILES for 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one is O=C1CCCCCN1CN1CCCCCC1=O.
What is the InChIKey of 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one?
The InChIKey is KIMQKTJSIVXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12-7-3-1-5-9-14(12)11-15-10-6-2-4-8-13(15)17/h1-11H2.
What are the key properties of 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one?
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxoazepan-1-yl)methyl]azepan-2-one is sourced from PubChem (CID 11746692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).