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

C16H23NO4 — CID 5351572

IUPAC4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
SMILESC=C/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C16H23NO4/c1-4-10(2)5-11(3)14(19)9-13(18)6-12-7-15(20)17-16(21)8-12/h4-5,11-13,18H,1,6-9H2,2-3H3,(H,17,20,21)/b10-5+/t11-,13+/m0/s1
InChIKeyZRYKVDWGQVQRPG-RUMBLXRPSA-N
MW293.36 g/mol
LogP1.52
Rot. Bonds7

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

4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione (PubChem CID 5351572) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
PubChem CID5351572
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
SMILESC=C/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C16H23NO4/c1-4-10(2)5-11(3)14(19)9-13(18)6-12-7-15(20)17-16(21)8-12/h4-5,11-13,18H,1,6-9H2,2-3H3,(H,17,20,21)/b10-5+/t11-,13+/m0/s1
InChIKeyZRYKVDWGQVQRPG-RUMBLXRPSA-N
XLogP1.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
The IUPAC name of 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione (CID 5351572) is 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione is C=C/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
The InChIKey is ZRYKVDWGQVQRPG-RUMBLXRPSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-10(2)5-11(3)14(19)9-13(18)6-12-7-15(20)17-16(21)8-12/h4-5,11-13,18H,1,6-9H2,2-3H3,(H,17,20,21)/b10-5+/t11-,13+/m0/s1.
What are the key properties of 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione?
4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione has a molecular weight of 293.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5S,6E)-2-hydroxy-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione is sourced from PubChem (CID 5351572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).