5-(2,5-dihydrothiophen-2-yl)piperidin-2-one

C9H13NOS — CID 68966907

IUPAC5-(2,5-dihydrothiophen-2-yl)piperidin-2-one
SMILESO=C1CCC(C2C=CCS2)CN1
InChIInChI=1S/C9H13NOS/c11-9-4-3-7(6-10-9)8-2-1-5-12-8/h1-2,7-8H,3-6H2,(H,10,11)
InChIKeyOJENMCVWSZYVKD-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.18
Rot. Bonds1

About 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one

5-(2,5-dihydrothiophen-2-yl)piperidin-2-one (PubChem CID 68966907) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(2,5-dihydrothiophen-2-yl)piperidin-2-one
PubChem CID68966907
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5-(2,5-dihydrothiophen-2-yl)piperidin-2-one
SMILESO=C1CCC(C2C=CCS2)CN1
InChIInChI=1S/C9H13NOS/c11-9-4-3-7(6-10-9)8-2-1-5-12-8/h1-2,7-8H,3-6H2,(H,10,11)
InChIKeyOJENMCVWSZYVKD-UHFFFAOYSA-N
XLogP1.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one?
The IUPAC name of 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one (CID 68966907) is 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one.
What is the SMILES notation for 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one?
The canonical SMILES for 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one is O=C1CCC(C2C=CCS2)CN1.
What is the InChIKey of 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one?
The InChIKey is OJENMCVWSZYVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-9-4-3-7(6-10-9)8-2-1-5-12-8/h1-2,7-8H,3-6H2,(H,10,11).
What are the key properties of 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one?
5-(2,5-dihydrothiophen-2-yl)piperidin-2-one has a molecular weight of 183.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydrothiophen-2-yl)piperidin-2-one is sourced from PubChem (CID 68966907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).