ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone

C9H19NO2 — CID 166119225

IUPACethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone
SMILESCC.CC(=O)C1CCC(O)N1C
InChIInChI=1S/C7H13NO2.C2H6/c1-5(9)6-3-4-7(10)8(6)2;1-2/h6-7,10H,3-4H2,1-2H3;1-2H3
InChIKeyXKVNMUNWEWPBJC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.01
Rot. Bonds1

About ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone

ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone (PubChem CID 166119225) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone
PubChem CID166119225
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone
SMILESCC.CC(=O)C1CCC(O)N1C
InChIInChI=1S/C7H13NO2.C2H6/c1-5(9)6-3-4-7(10)8(6)2;1-2/h6-7,10H,3-4H2,1-2H3;1-2H3
InChIKeyXKVNMUNWEWPBJC-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone (CID 166119225) is ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone is CC.CC(=O)C1CCC(O)N1C.
What is the InChIKey of ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is XKVNMUNWEWPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-5(9)6-3-4-7(10)8(6)2;1-2/h6-7,10H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone?
ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 173.26 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-hydroxy-1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 166119225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).