1-[2-(oxiran-2-yl)ethyl]piperidin-2-one

C9H15NO2 — CID 130575448

IUPAC1-[2-(oxiran-2-yl)ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCC1CO1
InChIInChI=1S/C9H15NO2/c11-9-3-1-2-5-10(9)6-4-8-7-12-8/h8H,1-7H2
InChIKeyKKYJHBRECBITPB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.79
Rot. Bonds3

About 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one

1-[2-(oxiran-2-yl)ethyl]piperidin-2-one (PubChem CID 130575448) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(oxiran-2-yl)ethyl]piperidin-2-one
PubChem CID130575448
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[2-(oxiran-2-yl)ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCC1CO1
InChIInChI=1S/C9H15NO2/c11-9-3-1-2-5-10(9)6-4-8-7-12-8/h8H,1-7H2
InChIKeyKKYJHBRECBITPB-UHFFFAOYSA-N
XLogP0.79
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
CID 88849448
1-(2-difluoroboranylethyl)piperidin-2-one
CID 123234744
1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one
CID 117029798
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-but-3-enylpiperidin-2-one
CID 14225189
1-[2-[2-(methylamino)cyclopentyl]ethyl]azepan-2-one
CID 79573190
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[2-(oxolan-2-yl)ethyl]piperidine-2,4-dione
CID 79516815
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
CID 155126020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one (CID 130575448) is 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one is O=C1CCCCN1CCC1CO1.
What is the InChIKey of 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one?
The InChIKey is KKYJHBRECBITPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9-3-1-2-5-10(9)6-4-8-7-12-8/h8H,1-7H2.
What are the key properties of 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one?
1-[2-(oxiran-2-yl)ethyl]piperidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxiran-2-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 130575448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).