1-icosylpyrrolidin-2-one

C24H47NO — CID 19094496

IUPAC1-icosylpyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCCCN1CCCC1=O
InChIInChI=1S/C24H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24(25)26/h2-23H2,1H3
InChIKeyPCCHARCWDAWUCD-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.65
Rot. Bonds19

About 1-icosylpyrrolidin-2-one

1-icosylpyrrolidin-2-one (PubChem CID 19094496) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 1-icosylpyrrolidin-2-one.

Molecular Properties

Compound Name1-icosylpyrrolidin-2-one
PubChem CID19094496
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name1-icosylpyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCCCN1CCCC1=O
InChIInChI=1S/C24H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24(25)26/h2-23H2,1H3
InChIKeyPCCHARCWDAWUCD-UHFFFAOYSA-N
XLogP7.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-icosylpyrrolidin-2-one?
The IUPAC name of 1-icosylpyrrolidin-2-one (CID 19094496) is 1-icosylpyrrolidin-2-one.
What is the SMILES notation for 1-icosylpyrrolidin-2-one?
The canonical SMILES for 1-icosylpyrrolidin-2-one is CCCCCCCCCCCCCCCCCCCCN1CCCC1=O.
What is the InChIKey of 1-icosylpyrrolidin-2-one?
The InChIKey is PCCHARCWDAWUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24(25)26/h2-23H2,1H3.
What are the key properties of 1-icosylpyrrolidin-2-one?
1-icosylpyrrolidin-2-one has a molecular weight of 365.65 g/mol, XLogP of 7.65, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosylpyrrolidin-2-one is sourced from PubChem (CID 19094496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).