4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione

C16H23NO3 — CID 163190985

IUPAC4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
SMILESC=C/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
InChIInChI=1S/C16H23NO3/c1-4-11(2)8-12(3)14(18)7-5-6-13-9-15(19)17-16(20)10-13/h4,8,12-13H,1,5-7,9-10H2,2-3H3,(H,17,19,20)/b11-8+/t12-/m1/s1
InChIKeyHXVGNHDNCOEZLJ-JATZPVMKSA-N
MW277.36 g/mol
LogP2.55
Rot. Bonds7

About 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione

4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione (PubChem CID 163190985) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
PubChem CID163190985
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
SMILESC=C/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
InChIInChI=1S/C16H23NO3/c1-4-11(2)8-12(3)14(18)7-5-6-13-9-15(19)17-16(20)10-13/h4,8,12-13H,1,5-7,9-10H2,2-3H3,(H,17,19,20)/b11-8+/t12-/m1/s1
InChIKeyHXVGNHDNCOEZLJ-JATZPVMKSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
The IUPAC name of 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione (CID 163190985) is 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione is C=C/C(C)=C/[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
The InChIKey is HXVGNHDNCOEZLJ-JATZPVMKSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11(2)8-12(3)14(18)7-5-6-13-9-15(19)17-16(20)10-13/h4,8,12-13H,1,5-7,9-10H2,2-3H3,(H,17,19,20)/b11-8+/t12-/m1/s1.
What are the key properties of 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione has a molecular weight of 277.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione is sourced from PubChem (CID 163190985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).