(2-oxopyrrolidin-1-yl)methyl octadecanoate

C23H43NO3 — CID 175360179

IUPAC(2-oxopyrrolidin-1-yl)methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCN1CCCC1=O
InChIInChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)27-21-24-20-17-18-22(24)25/h2-21H2,1H3
InChIKeyRYWMGSPXJZZDGO-UHFFFAOYSA-N
MW381.60 g/mol
LogP6.37
Rot. Bonds18

About (2-oxopyrrolidin-1-yl)methyl octadecanoate

(2-oxopyrrolidin-1-yl)methyl octadecanoate (PubChem CID 175360179) has the molecular formula C23H43NO3 and a molecular weight of 381.60 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl)methyl octadecanoate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl)methyl octadecanoate
PubChem CID175360179
Molecular FormulaC23H43NO3
Molecular Weight381.60 g/mol
Exact Mass381.32
IUPAC Name(2-oxopyrrolidin-1-yl)methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCN1CCCC1=O
InChIInChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)27-21-24-20-17-18-22(24)25/h2-21H2,1H3
InChIKeyRYWMGSPXJZZDGO-UHFFFAOYSA-N
XLogP6.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-oxoazepan-1-yl)methyl 6-aminohexanoate
CID 166671265
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-decanoylpyrrolidin-2-one
CID 11021000
[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] dodecanoate
CID 3680104
[(2R)-1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl] octanoate
CID 92535482
ethyl (Z)-octadec-9-enoate;1-methylpyrrolidin-2-one
CID 155338355
[(2S)-1-(azepan-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] hexanoate
CID 7336252
1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432
[1-[hexyl(methyl)amino]-3-(2-oxopyrrolidin-1-yl)propan-2-yl] dodecanoate
CID 121392264
ethenyl hexadecanoate;1-methylpyrrolidin-2-one
CID 174931386

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl)methyl octadecanoate?
The IUPAC name of (2-oxopyrrolidin-1-yl)methyl octadecanoate (CID 175360179) is (2-oxopyrrolidin-1-yl)methyl octadecanoate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl)methyl octadecanoate?
The canonical SMILES for (2-oxopyrrolidin-1-yl)methyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCN1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl)methyl octadecanoate?
The InChIKey is RYWMGSPXJZZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(26)27-21-24-20-17-18-22(24)25/h2-21H2,1H3.
What are the key properties of (2-oxopyrrolidin-1-yl)methyl octadecanoate?
(2-oxopyrrolidin-1-yl)methyl octadecanoate has a molecular weight of 381.60 g/mol, XLogP of 6.37, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl)methyl octadecanoate is sourced from PubChem (CID 175360179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).