1-(2-methylprop-2-enoxy)piperidine-2,4-dione

C9H13NO3 — CID 131173030

IUPAC1-(2-methylprop-2-enoxy)piperidine-2,4-dione
SMILESC=C(C)CON1CCC(=O)CC1=O
InChIInChI=1S/C9H13NO3/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h1,3-6H2,2H3
InChIKeyMFQQOWAPSFGSPE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.69
Rot. Bonds3

About 1-(2-methylprop-2-enoxy)piperidine-2,4-dione

1-(2-methylprop-2-enoxy)piperidine-2,4-dione (PubChem CID 131173030) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)piperidine-2,4-dione
PubChem CID131173030
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-methylprop-2-enoxy)piperidine-2,4-dione
SMILESC=C(C)CON1CCC(=O)CC1=O
InChIInChI=1S/C9H13NO3/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h1,3-6H2,2H3
InChIKeyMFQQOWAPSFGSPE-UHFFFAOYSA-N
XLogP0.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-prop-1-en-2-ylpiperidine-2,4-dione
CID 143515185
1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
CID 171489042
1-ethoxyazetidin-2-one
CID 130291069
1-propoxypyrrolidine-2,4-dione
CID 130609817
4-(2-methylprop-2-enoxy)cyclohexan-1-one
CID 18980421
1-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,5-dione
CID 126837522
1-(4-methoxybutyl)piperidine-2,4-dione
CID 79517353
3-(2-methylprop-2-enyl)-4-phenylcyclohex-3-en-1-one
CID 134858705
butyl 2,4-dioxopiperidine-1-carboxylate
CID 175709097
1-butylpiperidine-2,4-dione
CID 79515410
1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione
CID 79516659
1-(3-methyl-2-propan-2-ylbutyl)piperidine-2,4-dione
CID 102906301

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)piperidine-2,4-dione?
The IUPAC name of 1-(2-methylprop-2-enoxy)piperidine-2,4-dione (CID 131173030) is 1-(2-methylprop-2-enoxy)piperidine-2,4-dione.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)piperidine-2,4-dione?
The canonical SMILES for 1-(2-methylprop-2-enoxy)piperidine-2,4-dione is C=C(C)CON1CCC(=O)CC1=O.
What is the InChIKey of 1-(2-methylprop-2-enoxy)piperidine-2,4-dione?
The InChIKey is MFQQOWAPSFGSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h1,3-6H2,2H3.
What are the key properties of 1-(2-methylprop-2-enoxy)piperidine-2,4-dione?
1-(2-methylprop-2-enoxy)piperidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)piperidine-2,4-dione is sourced from PubChem (CID 131173030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).