1-decanoylpyrrolidin-2-one

C14H25NO2 — CID 11021000

IUPAC1-decanoylpyrrolidin-2-one
SMILESCCCCCCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(15)17/h2-12H2,1H3
InChIKeyZWIZLSQLKQJUQT-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.28
Rot. Bonds8

About 1-decanoylpyrrolidin-2-one

1-decanoylpyrrolidin-2-one (PubChem CID 11021000) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-decanoylpyrrolidin-2-one.

Molecular Properties

Compound Name1-decanoylpyrrolidin-2-one
PubChem CID11021000
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-decanoylpyrrolidin-2-one
SMILESCCCCCCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(15)17/h2-12H2,1H3
InChIKeyZWIZLSQLKQJUQT-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
1-docosanoylpyrrolidine-2,5-dione
CID 149150583
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
1-nonadec-18-enoylazepan-2-one
CID 19855822
(2-oxopyrrolidin-1-yl)methyl octadecanoate
CID 175360179
1-[(E)-1-iodooct-1-enyl]pyrrolidin-2-one
CID 134921298
1-octadeca-1,3-dien-3-ylpyrrolidin-2-one
CID 175797360
1-decanoyl-3-methylpyrrolidin-2-one
CID 19035137
1-ethyl-3-heptanoylimidazolidin-2-one
CID 139816789
1-[(E)-1-bromooct-1-enyl]pyrrolidin-2-one
CID 134988277

Frequently Asked Questions

What is the IUPAC name of 1-decanoylpyrrolidin-2-one?
The IUPAC name of 1-decanoylpyrrolidin-2-one (CID 11021000) is 1-decanoylpyrrolidin-2-one.
What is the SMILES notation for 1-decanoylpyrrolidin-2-one?
The canonical SMILES for 1-decanoylpyrrolidin-2-one is CCCCCCCCCC(=O)N1CCCC1=O.
What is the InChIKey of 1-decanoylpyrrolidin-2-one?
The InChIKey is ZWIZLSQLKQJUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(15)17/h2-12H2,1H3.
What are the key properties of 1-decanoylpyrrolidin-2-one?
1-decanoylpyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decanoylpyrrolidin-2-one is sourced from PubChem (CID 11021000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).