ethane;3-hydroxy-1,3-dimethylpiperidin-2-one

C9H19NO2 — CID 155729071

IUPACethane;3-hydroxy-1,3-dimethylpiperidin-2-one
SMILESCC.CN1CCCC(C)(O)C1=O
InChIInChI=1S/C7H13NO2.C2H6/c1-7(10)4-3-5-8(2)6(7)9;1-2/h10H,3-5H2,1-2H3;1-2H3
InChIKeyGFCVZGGDRJOGIQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.02
Rot. Bonds

About ethane;3-hydroxy-1,3-dimethylpiperidin-2-one

ethane;3-hydroxy-1,3-dimethylpiperidin-2-one (PubChem CID 155729071) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;3-hydroxy-1,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Nameethane;3-hydroxy-1,3-dimethylpiperidin-2-one
PubChem CID155729071
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;3-hydroxy-1,3-dimethylpiperidin-2-one
SMILESCC.CN1CCCC(C)(O)C1=O
InChIInChI=1S/C7H13NO2.C2H6/c1-7(10)4-3-5-8(2)6(7)9;1-2/h10H,3-5H2,1-2H3;1-2H3
InChIKeyGFCVZGGDRJOGIQ-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-1,3-dimethylpiperidin-2-one?
The IUPAC name of ethane;3-hydroxy-1,3-dimethylpiperidin-2-one (CID 155729071) is ethane;3-hydroxy-1,3-dimethylpiperidin-2-one.
What is the SMILES notation for ethane;3-hydroxy-1,3-dimethylpiperidin-2-one?
The canonical SMILES for ethane;3-hydroxy-1,3-dimethylpiperidin-2-one is CC.CN1CCCC(C)(O)C1=O.
What is the InChIKey of ethane;3-hydroxy-1,3-dimethylpiperidin-2-one?
The InChIKey is GFCVZGGDRJOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-7(10)4-3-5-8(2)6(7)9;1-2/h10H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-hydroxy-1,3-dimethylpiperidin-2-one?
ethane;3-hydroxy-1,3-dimethylpiperidin-2-one has a molecular weight of 173.26 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-1,3-dimethylpiperidin-2-one is sourced from PubChem (CID 155729071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).