1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone

C8H15NO2 — CID 123436388

IUPAC1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone
SMILESCCN1CC(C(C)=O)CC1O
InChIInChI=1S/C8H15NO2/c1-3-9-5-7(6(2)10)4-8(9)11/h7-8,11H,3-5H2,1-2H3
InChIKeyVLVSXBMZXLWJIC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.24
Rot. Bonds2

About 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone

1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone (PubChem CID 123436388) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone
PubChem CID123436388
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone
SMILESCCN1CC(C(C)=O)CC1O
InChIInChI=1S/C8H15NO2/c1-3-9-5-7(6(2)10)4-8(9)11/h7-8,11H,3-5H2,1-2H3
InChIKeyVLVSXBMZXLWJIC-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone (CID 123436388) is 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone is CCN1CC(C(C)=O)CC1O.
What is the InChIKey of 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone?
The InChIKey is VLVSXBMZXLWJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-5-7(6(2)10)4-8(9)11/h7-8,11H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone?
1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-hydroxypyrrolidin-3-yl)ethanone is sourced from PubChem (CID 123436388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).