1-hexadecanoylpyrrolidin-2-one

C20H37NO2 — CID 15208369

IUPAC1-hexadecanoylpyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20(21)23/h2-18H2,1H3
InChIKeyRPEGOENUVRIWBU-UHFFFAOYSA-N
MW323.52 g/mol
LogP5.62
Rot. Bonds14

About 1-hexadecanoylpyrrolidin-2-one

1-hexadecanoylpyrrolidin-2-one (PubChem CID 15208369) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-hexadecanoylpyrrolidin-2-one.

Molecular Properties

Compound Name1-hexadecanoylpyrrolidin-2-one
PubChem CID15208369
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name1-hexadecanoylpyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCC(=O)N1CCCC1=O
InChIInChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20(21)23/h2-18H2,1H3
InChIKeyRPEGOENUVRIWBU-UHFFFAOYSA-N
XLogP5.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.62
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-Lauryl-2-pyrrolidone
CID 62459
N-Octylpyrrolidone
CID 3033871
N,N-Diethyldodecanamide
CID 18783
1-(1-Pyrrolidinyl)-1-hexadecanone
CID 247220
N,N-Dibutyldodecanamide
CID 219313
Pyrrolidine, 1-stearoyl-
CID 574659
N,N-dibutyldecanamide
CID 304086
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
1-Decylpyrrolidin-2-one
CID 171427
1-Dodecanoyl-2-pyrrolidinone
CID 95148
2-Pyrrolidinone, 1-(1-oxodecyl)-
CID 11021000

Frequently Asked Questions

What is the IUPAC name of 1-hexadecanoylpyrrolidin-2-one?
The IUPAC name of 1-hexadecanoylpyrrolidin-2-one (CID 15208369) is 1-hexadecanoylpyrrolidin-2-one.
What is the SMILES notation for 1-hexadecanoylpyrrolidin-2-one?
The canonical SMILES for 1-hexadecanoylpyrrolidin-2-one is CCCCCCCCCCCCCCCC(=O)N1CCCC1=O.
What is the InChIKey of 1-hexadecanoylpyrrolidin-2-one?
The InChIKey is RPEGOENUVRIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20(21)23/h2-18H2,1H3.
What are the key properties of 1-hexadecanoylpyrrolidin-2-one?
1-hexadecanoylpyrrolidin-2-one has a molecular weight of 323.52 g/mol, XLogP of 5.62, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecanoylpyrrolidin-2-one is sourced from PubChem (CID 15208369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).