3-(but-3-en-2-ylamino)piperidine-2,6-dione

C9H14N2O2 — CID 107907204

IUPAC3-(but-3-en-2-ylamino)piperidine-2,6-dione
SMILESC=CC(C)NC1CCC(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-3-6(2)10-7-4-5-8(12)11-9(7)13/h3,6-7,10H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyIKXYXMKJONHIRW-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds3

About 3-(but-3-en-2-ylamino)piperidine-2,6-dione

3-(but-3-en-2-ylamino)piperidine-2,6-dione (PubChem CID 107907204) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(but-3-en-2-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(but-3-en-2-ylamino)piperidine-2,6-dione
PubChem CID107907204
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(but-3-en-2-ylamino)piperidine-2,6-dione
SMILESC=CC(C)NC1CCC(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-3-6(2)10-7-4-5-8(12)11-9(7)13/h3,6-7,10H,1,4-5H2,2H3,(H,11,12,13)
InChIKeyIKXYXMKJONHIRW-UHFFFAOYSA-N
XLogP-0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
CID 107711048
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
3-(3-methylbut-3-enylamino)piperidine-2,6-dione
CID 114472384
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
3-[[4-[[(1S,2S)-2-aminocyclohexyl]-methylamino]-1-hydroxy-2-methylidenepentyl]amino]piperidine-2,6-dione
CID 166865172
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
CID 170749748
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[(2,6-dioxopiperidin-3-yl)amino]-N'-hydroxypentanimidamide
CID 77109780
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-en-2-ylamino)piperidine-2,6-dione?
The IUPAC name of 3-(but-3-en-2-ylamino)piperidine-2,6-dione (CID 107907204) is 3-(but-3-en-2-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(but-3-en-2-ylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(but-3-en-2-ylamino)piperidine-2,6-dione is C=CC(C)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-(but-3-en-2-ylamino)piperidine-2,6-dione?
The InChIKey is IKXYXMKJONHIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-6(2)10-7-4-5-8(12)11-9(7)13/h3,6-7,10H,1,4-5H2,2H3,(H,11,12,13).
What are the key properties of 3-(but-3-en-2-ylamino)piperidine-2,6-dione?
3-(but-3-en-2-ylamino)piperidine-2,6-dione has a molecular weight of 182.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-en-2-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 107907204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).