ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone

C8H17NO2 — CID 166119609

IUPACethane;1-(3-hydroxypyrrolidin-2-yl)ethanone
SMILESCC.CC(=O)C1NCCC1O
InChIInChI=1S/C6H11NO2.C2H6/c1-4(8)6-5(9)2-3-7-6;1-2/h5-7,9H,2-3H2,1H3;1-2H3
InChIKeyQGLQMXLENBLFHI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.32
Rot. Bonds1

About ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone

ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone (PubChem CID 166119609) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(3-hydroxypyrrolidin-2-yl)ethanone
PubChem CID166119609
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethane;1-(3-hydroxypyrrolidin-2-yl)ethanone
SMILESCC.CC(=O)C1NCCC1O
InChIInChI=1S/C6H11NO2.C2H6/c1-4(8)6-5(9)2-3-7-6;1-2/h5-7,9H,2-3H2,1H3;1-2H3
InChIKeyQGLQMXLENBLFHI-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone?
The IUPAC name of ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone (CID 166119609) is ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone.
What is the SMILES notation for ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone?
The canonical SMILES for ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone is CC.CC(=O)C1NCCC1O.
What is the InChIKey of ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone?
The InChIKey is QGLQMXLENBLFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-4(8)6-5(9)2-3-7-6;1-2/h5-7,9H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone?
ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone has a molecular weight of 159.23 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-hydroxypyrrolidin-2-yl)ethanone is sourced from PubChem (CID 166119609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).