1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one

C17H29NO2 — CID 89303881

IUPAC1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one
SMILESCC/C=C(\C=C/CN1CCCC1=O)[C@@H](O)CCCCC
InChIInChI=1S/C17H29NO2/c1-3-5-6-11-16(19)15(9-4-2)10-7-13-18-14-8-12-17(18)20/h7,9-10,16,19H,3-6,8,11-14H2,1-2H3/b10-7-,15-9+/t16-/m0/s1
InChIKeyWVOGUZUKPQKBFG-CVUIZRFXSA-N
MW279.42 g/mol
LogP3.44
Rot. Bonds9

About 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one

1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one (PubChem CID 89303881) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one
PubChem CID89303881
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one
SMILESCC/C=C(\C=C/CN1CCCC1=O)[C@@H](O)CCCCC
InChIInChI=1S/C17H29NO2/c1-3-5-6-11-16(19)15(9-4-2)10-7-13-18-14-8-12-17(18)20/h7,9-10,16,19H,3-6,8,11-14H2,1-2H3/b10-7-,15-9+/t16-/m0/s1
InChIKeyWVOGUZUKPQKBFG-CVUIZRFXSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one with MolForge

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Related Compounds

Pecilocin
CID 5282176
1-[(2Z,4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 76332847
1-[(2E,4E,6E)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 5354035
Leofungine; NSC 291839;Supral; Variotin
CID 5652
Formosusin A
CID 71812105
1-[(4E,6E,8R)-8-hydroxy-6-methyldodeca-2,4,6-trienoyl]pyrrolidin-2-one
CID 162887308
CID 5358945
CID 5358945
(E,7S)-7-hydroxy-1-pyrrolidin-1-yltetradec-4-en-1-one
CID 76316886
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
1-heptyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 21854875
1-[(Z)-hept-2-enyl]-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
CID 68235763

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one (CID 89303881) is 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one is CC/C=C(\C=C/CN1CCCC1=O)[C@@H](O)CCCCC.
What is the InChIKey of 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one?
The InChIKey is WVOGUZUKPQKBFG-CVUIZRFXSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-6-11-16(19)15(9-4-2)10-7-13-18-14-8-12-17(18)20/h7,9-10,16,19H,3-6,8,11-14H2,1-2H3/b10-7-,15-9+/t16-/m0/s1.
What are the key properties of 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one?
1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one has a molecular weight of 279.42 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,4E,5S)-5-hydroxy-4-propylidenedec-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 89303881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).