3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione

C14H17NO2 — CID 171565227

IUPAC3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
SMILESC=C/C(C)=C\C=C(/C=C)C1CCC(=O)NC1=O
InChIInChI=1S/C14H17NO2/c1-4-10(3)6-7-11(5-2)12-8-9-13(16)15-14(12)17/h4-7,12H,1-2,8-9H2,3H3,(H,15,16,17)/b10-6-,11-7+
InChIKeyZGPBYNVYIGSVAB-NAKBGQTNSA-N
MW231.29 g/mol
LogP2.28
Rot. Bonds4

About 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione

3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione (PubChem CID 171565227) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
PubChem CID171565227
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
SMILESC=C/C(C)=C\C=C(/C=C)C1CCC(=O)NC1=O
InChIInChI=1S/C14H17NO2/c1-4-10(3)6-7-11(5-2)12-8-9-13(16)15-14(12)17/h4-7,12H,1-2,8-9H2,3H3,(H,15,16,17)/b10-6-,11-7+
InChIKeyZGPBYNVYIGSVAB-NAKBGQTNSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.28
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-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
CID 172570194
ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
CID 177338978
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-5-methylhepta-2,4,6-trienamide;ethane
CID 176573991
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 177212209
ethane;3-[4-ethenyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione;methane
CID 177212208
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
3-[5-[(3E)-hexa-1,3,5-trien-3-yl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 156795515

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione (CID 171565227) is 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione is C=C/C(C)=C\C=C(/C=C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione?
The InChIKey is ZGPBYNVYIGSVAB-NAKBGQTNSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10(3)6-7-11(5-2)12-8-9-13(16)15-14(12)17/h4-7,12H,1-2,8-9H2,3H3,(H,15,16,17)/b10-6-,11-7+.
What are the key properties of 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione?
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione has a molecular weight of 231.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 171565227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).