5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one

C11H21NO2 — CID 103935391

IUPAC5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
SMILESCCC1CCC(=O)N(C[C@@H](C)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-10-4-5-11(14)12(7-6-10)8-9(2)13/h9-10,13H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyGHBMFFFUYWXQGG-YHMJZVADSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds3

About 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one

5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one (PubChem CID 103935391) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one.

Molecular Properties

Compound Name5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
PubChem CID103935391
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
SMILESCCC1CCC(=O)N(C[C@@H](C)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-10-4-5-11(14)12(7-6-10)8-9(2)13/h9-10,13H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyGHBMFFFUYWXQGG-YHMJZVADSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
CID 103934825
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethylazepan-2-one
CID 103366598
1-(2-hydroxy-3-methoxypropyl)-5-propylazepan-2-one
CID 113237956
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-ethylazepan-2-one
CID 103072519
1-(3-hydroxybutan-2-yl)-5-propylazepan-2-one
CID 78992720
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266
4-[(5-ethyl-2-oxoazepan-1-yl)methyl]-2-fluorobenzoic acid
CID 106698866

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one?
The IUPAC name of 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one (CID 103935391) is 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one.
What is the SMILES notation for 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one?
The canonical SMILES for 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one is CCC1CCC(=O)N(C[C@@H](C)O)CC1.
What is the InChIKey of 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one?
The InChIKey is GHBMFFFUYWXQGG-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10-4-5-11(14)12(7-6-10)8-9(2)13/h9-10,13H,3-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one?
5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one is sourced from PubChem (CID 103935391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).