3-buta-1,3-dien-2-ylpiperidine-2,6-dione

C9H11NO2 — CID 177016784

IUPAC3-buta-1,3-dien-2-ylpiperidine-2,6-dione
SMILESC=CC(=C)C1CCC(=O)NC1=O
InChIInChI=1S/C9H11NO2/c1-3-6(2)7-4-5-8(11)10-9(7)12/h3,7H,1-2,4-5H2,(H,10,11,12)
InChIKeyCCWIOOAQEQWUOG-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.78
Rot. Bonds2

About 3-buta-1,3-dien-2-ylpiperidine-2,6-dione

3-buta-1,3-dien-2-ylpiperidine-2,6-dione (PubChem CID 177016784) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-buta-1,3-dien-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-buta-1,3-dien-2-ylpiperidine-2,6-dione
PubChem CID177016784
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-buta-1,3-dien-2-ylpiperidine-2,6-dione
SMILESC=CC(=C)C1CCC(=O)NC1=O
InChIInChI=1S/C9H11NO2/c1-3-6(2)7-4-5-8(11)10-9(7)12/h3,7H,1-2,4-5H2,(H,10,11,12)
InChIKeyCCWIOOAQEQWUOG-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
CID 177338978
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
CID 172570194
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
3-(but-3-en-2-ylamino)piperidine-2,6-dione
CID 107907204
[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
CID 170003315
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582

Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dien-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-buta-1,3-dien-2-ylpiperidine-2,6-dione (CID 177016784) is 3-buta-1,3-dien-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-buta-1,3-dien-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-buta-1,3-dien-2-ylpiperidine-2,6-dione is C=CC(=C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-buta-1,3-dien-2-ylpiperidine-2,6-dione?
The InChIKey is CCWIOOAQEQWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-6(2)7-4-5-8(11)10-9(7)12/h3,7H,1-2,4-5H2,(H,10,11,12).
What are the key properties of 3-buta-1,3-dien-2-ylpiperidine-2,6-dione?
3-buta-1,3-dien-2-ylpiperidine-2,6-dione has a molecular weight of 165.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dien-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 177016784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).