1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one

C13H23NO2 — CID 104753129

IUPAC1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
SMILESO=C1CCCCCN1CC(O)C1CCCC1
InChIInChI=1S/C13H23NO2/c15-12(11-6-3-4-7-11)10-14-9-5-1-2-8-13(14)16/h11-12,15H,1-10H2
InChIKeyVLUKMILNERNXEW-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one

1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one (PubChem CID 104753129) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
PubChem CID104753129
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
SMILESO=C1CCCCCN1CC(O)C1CCCC1
InChIInChI=1S/C13H23NO2/c15-12(11-6-3-4-7-11)10-14-9-5-1-2-8-13(14)16/h11-12,15H,1-10H2
InChIKeyVLUKMILNERNXEW-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-cyclopentyl-2-(methylamino)ethyl]azocan-2-one
CID 104747242
1-[2-hydroxy-2-[1-hydroxy-2-(2-oxoazepan-1-yl)ethoxy]ethyl]azepan-2-one
CID 165374398
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 104752968
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
CID 113449235
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one?
The IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one (CID 104753129) is 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one.
What is the SMILES notation for 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one?
The canonical SMILES for 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one is O=C1CCCCCN1CC(O)C1CCCC1.
What is the InChIKey of 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one?
The InChIKey is VLUKMILNERNXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12(11-6-3-4-7-11)10-14-9-5-1-2-8-13(14)16/h11-12,15H,1-10H2.
What are the key properties of 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one?
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one is sourced from PubChem (CID 104753129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).