1-(2-cyclohexyl-2-oxoethyl)azepan-2-one

C14H23NO2 — CID 104751187

IUPAC1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
SMILESO=C(CN1CCCCCC1=O)C1CCCCC1
InChIInChI=1S/C14H23NO2/c16-13(12-7-3-1-4-8-12)11-15-10-6-2-5-9-14(15)17/h12H,1-11H2
InChIKeyZEDFRUDXJXNPSB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds3

About 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one

1-(2-cyclohexyl-2-oxoethyl)azepan-2-one (PubChem CID 104751187) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
PubChem CID104751187
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
SMILESO=C(CN1CCCCCC1=O)C1CCCCC1
InChIInChI=1S/C14H23NO2/c16-13(12-7-3-1-4-8-12)11-15-10-6-2-5-9-14(15)17/h12H,1-11H2
InChIKeyZEDFRUDXJXNPSB-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-cyclopentyl-N-ethyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78864293
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-[cyclopropyl-[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119194934
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
CID 142011041

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one?
The IUPAC name of 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one (CID 104751187) is 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one.
What is the SMILES notation for 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one?
The canonical SMILES for 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one is O=C(CN1CCCCCC1=O)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one?
The InChIKey is ZEDFRUDXJXNPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-13(12-7-3-1-4-8-12)11-15-10-6-2-5-9-14(15)17/h12H,1-11H2.
What are the key properties of 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one?
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one has a molecular weight of 237.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-2-oxoethyl)azepan-2-one is sourced from PubChem (CID 104751187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).