1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

C13H24N2O2 — CID 62917489

IUPAC1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12-6-9-14(10-12)11-13(17)15-7-4-2-1-3-5-8-15/h12,16H,1-11H2
InChIKeyOWPKMYOZBGOYBV-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.85
Rot. Bonds2

About 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone

1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 62917489) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID62917489
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)C1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12-6-9-14(10-12)11-13(17)15-7-4-2-1-3-5-8-15/h12,16H,1-11H2
InChIKeyOWPKMYOZBGOYBV-UHFFFAOYSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
1-(azetidin-1-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898098
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
1-(azocan-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 81491129
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone (CID 62917489) is 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CN1CCC(O)C1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is OWPKMYOZBGOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-12-6-9-14(10-12)11-13(17)15-7-4-2-1-3-5-8-15/h12,16H,1-11H2.
What are the key properties of 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone?
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62917489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).