1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one

C17H25NO3 — CID 5282176

IUPAC1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
SMILESCCCC[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1
InChIKeyZYPGADGCNXOUJP-CXVPHVKISA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds7

About 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one

1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one (PubChem CID 5282176) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
PubChem CID5282176
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
SMILESCCCC[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1
InChIKeyZYPGADGCNXOUJP-CXVPHVKISA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one with MolForge

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Related Compounds

Viriditin
CID 10447942
1-[(2E,4E,6E)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 5354035
1-[(2Z,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 76332847
CID 5358945
CID 5358945
Formosusin A
CID 71812105
1-[(4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 162887308
(2E,4E,6E,8R)-8-hydroxy-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-methyldodeca-2,4,6-trien-1-one
CID 163045363
Leofungine; NSC 291839;Supral; Variotin
CID 5652
1-[(8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 656589
1-[(2Z,4E,6E)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 169491966
8-Hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methyldodeca-2,4,6-trien-1-one
CID 85145904
1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one
CID 89303881

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one (CID 5282176) is 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one is CCCC[C@@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O.
What is the InChIKey of 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one?
The InChIKey is ZYPGADGCNXOUJP-CXVPHVKISA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1.
What are the key properties of 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one?
1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one is sourced from PubChem (CID 5282176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).