1-prop-1-en-2-ylpiperidine-2,4-dione

C8H11NO2 — CID 143515185

IUPAC1-prop-1-en-2-ylpiperidine-2,4-dione
SMILESC=C(C)N1CCC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-6(2)9-4-3-7(10)5-8(9)11/h1,3-5H2,2H3
InChIKeyJEAOZMCBAHZKBT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds1

About 1-prop-1-en-2-ylpiperidine-2,4-dione

1-prop-1-en-2-ylpiperidine-2,4-dione (PubChem CID 143515185) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpiperidine-2,4-dione.

Molecular Properties

Compound Name1-prop-1-en-2-ylpiperidine-2,4-dione
PubChem CID143515185
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-prop-1-en-2-ylpiperidine-2,4-dione
SMILESC=C(C)N1CCC(=O)CC1=O
InChIInChI=1S/C8H11NO2/c1-6(2)9-4-3-7(10)5-8(9)11/h1,3-5H2,2H3
InChIKeyJEAOZMCBAHZKBT-UHFFFAOYSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enoxy)piperidine-2,4-dione
CID 131173030
4-hydroxy-1-prop-1-en-2-ylpiperidin-2-one
CID 134406084
butyl 2,4-dioxopiperidine-1-carboxylate
CID 175709097
tert-butyl 3-bromo-2,4-dioxopiperidine-1-carboxylate;tert-butyl 2,4-dioxopiperidine-1-carboxylate
CID 160906280
1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
CID 171489042
ethane;1-methyl-2-prop-1-en-2-yldiazepan-5-one
CID 91474753
N-decan-5-yl-2,4-dioxopiperidine-1-carboxamide
CID 134524988
1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione
CID 79516659
3-methyl-2-(2-oxoazetidin-1-yl)but-2-enoic acid
CID 23331293
1-acetylpiperidin-4-one;ethane
CID 91328133
1-butylpiperidine-2,4-dione
CID 79515410
1-hexan-2-ylpiperidine-2,4-dione
CID 79517147

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylpiperidine-2,4-dione?
The IUPAC name of 1-prop-1-en-2-ylpiperidine-2,4-dione (CID 143515185) is 1-prop-1-en-2-ylpiperidine-2,4-dione.
What is the SMILES notation for 1-prop-1-en-2-ylpiperidine-2,4-dione?
The canonical SMILES for 1-prop-1-en-2-ylpiperidine-2,4-dione is C=C(C)N1CCC(=O)CC1=O.
What is the InChIKey of 1-prop-1-en-2-ylpiperidine-2,4-dione?
The InChIKey is JEAOZMCBAHZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(2)9-4-3-7(10)5-8(9)11/h1,3-5H2,2H3.
What are the key properties of 1-prop-1-en-2-ylpiperidine-2,4-dione?
1-prop-1-en-2-ylpiperidine-2,4-dione has a molecular weight of 153.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylpiperidine-2,4-dione is sourced from PubChem (CID 143515185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).