1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one

C11H19NO3 — CID 106103121

IUPAC1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one
SMILESCC1OCCC1(O)CN1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-9-11(14,5-7-15-9)8-12-6-3-2-4-10(12)13/h9,14H,2-8H2,1H3
InChIKeyIAALCLSBQKPGKI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.54
Rot. Bonds2

About 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one

1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one (PubChem CID 106103121) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one
PubChem CID106103121
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one
SMILESCC1OCCC1(O)CN1CCCCC1=O
InChIInChI=1S/C11H19NO3/c1-9-11(14,5-7-15-9)8-12-6-3-2-4-10(12)13/h9,14H,2-8H2,1H3
InChIKeyIAALCLSBQKPGKI-UHFFFAOYSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one (CID 106103121) is 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one is CC1OCCC1(O)CN1CCCCC1=O.
What is the InChIKey of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one?
The InChIKey is IAALCLSBQKPGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-11(14,5-7-15-9)8-12-6-3-2-4-10(12)13/h9,14H,2-8H2,1H3.
What are the key properties of 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one?
1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-2-methyloxolan-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 106103121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).