(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate

C24H43NO3 — CID 145013118

IUPAC(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate
SMILESC=CC(CCCCCCCCCCCCCCCC)C(=O)OC1CCNC1=O
InChIInChI=1S/C24H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2)24(27)28-22-19-20-25-23(22)26/h4,21-22H,2-3,5-20H2,1H3,(H,25,26)
InChIKeyPCFWQGXKDNSWOV-UHFFFAOYSA-N
MW393.61 g/mol
LogP6.09
Rot. Bonds18

About (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate

(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate (PubChem CID 145013118) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate
PubChem CID145013118
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Name(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate
SMILESC=CC(CCCCCCCCCCCCCCCC)C(=O)OC1CCNC1=O
InChIInChI=1S/C24H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2)24(27)28-22-19-20-25-23(22)26/h4,21-22H,2-3,5-20H2,1H3,(H,25,26)
InChIKeyPCFWQGXKDNSWOV-UHFFFAOYSA-N
XLogP6.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 56.09
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

methyl 2-ethenyloctanoate
CID 12739558
[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
CID 156835139
3-tridecan-7-ylpyrrolidin-2-one
CID 167077017
[(Z)-2-ethenylhexadec-9-enoyl] 2-ethenylhexadec-9-enoate
CID 174781786
4-ethenyl-2-methyloctadecan-3-one
CID 142756514
8-ethenyldocosan-7-one
CID 142765848
3-ethenylpyrrolidin-2-one;icos-1-ene
CID 142741632
[(3S)-3-(chloroamino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] heptanoate
CID 167338959
methyl 3-amino-5-ethyl-4-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]dodecanoate
CID 175458642
cyclopropyl 2-hexyldecanoate
CID 174570245
3-(4-methylpentoxy)pyrrolidin-2-one
CID 175505584
3-ethenylnonan-2-one;nonadecan-2-one
CID 159197887

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate?
The IUPAC name of (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate (CID 145013118) is (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate.
What is the SMILES notation for (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate?
The canonical SMILES for (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate is C=CC(CCCCCCCCCCCCCCCC)C(=O)OC1CCNC1=O.
What is the InChIKey of (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate?
The InChIKey is PCFWQGXKDNSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2)24(27)28-22-19-20-25-23(22)26/h4,21-22H,2-3,5-20H2,1H3,(H,25,26).
What are the key properties of (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate?
(2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate has a molecular weight of 393.61 g/mol, XLogP of 6.09, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl) 2-ethenyloctadecanoate is sourced from PubChem (CID 145013118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).