3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one

C10H17NO2 — CID 79618864

IUPAC3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one
SMILESO=C1CCCC(N2CCC(O)C2)C1
InChIInChI=1S/C10H17NO2/c12-9-3-1-2-8(6-9)11-5-4-10(13)7-11/h8,10,13H,1-7H2
InChIKeyJSPWROOVGHDMTO-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.56
Rot. Bonds1

About 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one

3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one (PubChem CID 79618864) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one
PubChem CID79618864
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one
SMILESO=C1CCCC(N2CCC(O)C2)C1
InChIInChI=1S/C10H17NO2/c12-9-3-1-2-8(6-9)11-5-4-10(13)7-11/h8,10,13H,1-7H2
InChIKeyJSPWROOVGHDMTO-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one (CID 79618864) is 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one is O=C1CCCC(N2CCC(O)C2)C1.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one?
The InChIKey is JSPWROOVGHDMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9-3-1-2-8(6-9)11-5-4-10(13)7-11/h8,10,13H,1-7H2.
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one?
3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 79618864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).