1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone

C13H23NO2 — CID 111430161

IUPAC1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESO=C(CC1(O)CCCC1)N1CCCCCC1
InChIInChI=1S/C13H23NO2/c15-12(11-13(16)7-3-4-8-13)14-9-5-1-2-6-10-14/h16H,1-11H2
InChIKeyZIGZVZCVJKFDFO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.08
Rot. Bonds2

About 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone

1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111430161) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111430161
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESO=C(CC1(O)CCCC1)N1CCCCCC1
InChIInChI=1S/C13H23NO2/c15-12(11-13(16)7-3-4-8-13)14-9-5-1-2-6-10-14/h16H,1-11H2
InChIKeyZIGZVZCVJKFDFO-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111430819
2-(1-hydroxycyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111537220
2-(1-hydroxycyclopentyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 111537250
2-[1-[2,2-Difluoro-2-(1-hydroxycyclopentyl)acetyl]azepan-4-yl]acetamide
CID 137844395
2,2-Difluoro-2-(1-hydroxycyclopentyl)-1-[3-(methoxymethyl)azepan-1-yl]ethanone
CID 137861640
1-Hydroxy-N,N-dimethylcyclopentaneacetamide
CID 14919737
1-[(1-Hydroxycyclopentyl)methyl]azepane-2,7-dione
CID 65117476
N-(2-cyanoethyl)-N-ethyl-2-(1-hydroxycyclopentyl)acetamide
CID 75430970
1-(3-Hydroxy-3-methylbutyl)-5-propylazepan-2-one
CID 79362016
1-[3-(Azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 84585329
1-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 95907445
1-[(3S)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 95907446

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone (CID 111430161) is 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone is O=C(CC1(O)CCCC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is ZIGZVZCVJKFDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12(11-13(16)7-3-4-8-13)14-9-5-1-2-6-10-14/h16H,1-11H2.
What are the key properties of 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111430161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).