1-(22-hydroxydocosyl)pyrrolidin-2-one

C26H51NO2 — CID 151557638

IUPAC1-(22-hydroxydocosyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C26H51NO2/c28-25-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-23-27-24-21-22-26(27)29/h28H,1-25H2
InChIKeyQBUVEXZAONAUTC-UHFFFAOYSA-N
MW409.70 g/mol
LogP7.40
Rot. Bonds22

About 1-(22-hydroxydocosyl)pyrrolidin-2-one

1-(22-hydroxydocosyl)pyrrolidin-2-one (PubChem CID 151557638) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 1-(22-hydroxydocosyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(22-hydroxydocosyl)pyrrolidin-2-one
PubChem CID151557638
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC Name1-(22-hydroxydocosyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C26H51NO2/c28-25-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-23-27-24-21-22-26(27)29/h28H,1-25H2
InChIKeyQBUVEXZAONAUTC-UHFFFAOYSA-N
XLogP7.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxybutyl)azepan-2-one
CID 43509760
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[2-[5-hydroxypentyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 111122278
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 14553076
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427

Frequently Asked Questions

What is the IUPAC name of 1-(22-hydroxydocosyl)pyrrolidin-2-one?
The IUPAC name of 1-(22-hydroxydocosyl)pyrrolidin-2-one (CID 151557638) is 1-(22-hydroxydocosyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(22-hydroxydocosyl)pyrrolidin-2-one?
The canonical SMILES for 1-(22-hydroxydocosyl)pyrrolidin-2-one is O=C1CCCN1CCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 1-(22-hydroxydocosyl)pyrrolidin-2-one?
The InChIKey is QBUVEXZAONAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c28-25-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-23-27-24-21-22-26(27)29/h28H,1-25H2.
What are the key properties of 1-(22-hydroxydocosyl)pyrrolidin-2-one?
1-(22-hydroxydocosyl)pyrrolidin-2-one has a molecular weight of 409.70 g/mol, XLogP of 7.40, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(22-hydroxydocosyl)pyrrolidin-2-one is sourced from PubChem (CID 151557638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).