[(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate

C20H35NO3 — CID 101316270

IUPAC[(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCC/C=C/CCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h12-13,18H,2-11,14-17H2,1H3,(H,21,22)/b13-12+/t18-/m0/s1
InChIKeyVOSLYAVSAGMMHZ-HHNLSAEISA-N
MW337.50 g/mol
LogP4.68
Rot. Bonds14

About [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate

[(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 101316270) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID101316270
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name[(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCCCCC/C=C/CCOC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h12-13,18H,2-11,14-17H2,1H3,(H,21,22)/b13-12+/t18-/m0/s1
InChIKeyVOSLYAVSAGMMHZ-HHNLSAEISA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-docos-5-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316391
[(E)-heptadec-4-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316300
[(E)-icos-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316360
dodec-4-enyl 5-oxopyrrolidine-2-carboxylate
CID 54310803
[(E)-icos-15-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316362
[(E)-octadec-13-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316325
[(E)-tridec-9-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316252
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771
heptyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840773
tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087

Frequently Asked Questions

What is the IUPAC name of [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate (CID 101316270) is [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate is CCCCCCCCCCC/C=C/CCOC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is VOSLYAVSAGMMHZ-HHNLSAEISA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h12-13,18H,2-11,14-17H2,1H3,(H,21,22)/b13-12+/t18-/m0/s1.
What are the key properties of [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate?
[(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.68, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pentadec-3-enyl] (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 101316270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).