3-decanoyl-1-ethenylpyrrolidin-2-one

C16H27NO2 — CID 86173868

IUPAC3-decanoyl-1-ethenylpyrrolidin-2-one
SMILESC=CN1CCC(C(=O)CCCCCCCCC)C1=O
InChIInChI=1S/C16H27NO2/c1-3-5-6-7-8-9-10-11-15(18)14-12-13-17(4-2)16(14)19/h4,14H,2-3,5-13H2,1H3
InChIKeyDTPPBXPJBGAXLI-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.69
Rot. Bonds10

About 3-decanoyl-1-ethenylpyrrolidin-2-one

3-decanoyl-1-ethenylpyrrolidin-2-one (PubChem CID 86173868) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-decanoyl-1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-decanoyl-1-ethenylpyrrolidin-2-one
PubChem CID86173868
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-decanoyl-1-ethenylpyrrolidin-2-one
SMILESC=CN1CCC(C(=O)CCCCCCCCC)C1=O
InChIInChI=1S/C16H27NO2/c1-3-5-6-7-8-9-10-11-15(18)14-12-13-17(4-2)16(14)19/h4,14H,2-3,5-13H2,1H3
InChIKeyDTPPBXPJBGAXLI-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-decanoyl-1-ethenylpyrrolidin-2-one?
The IUPAC name of 3-decanoyl-1-ethenylpyrrolidin-2-one (CID 86173868) is 3-decanoyl-1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 3-decanoyl-1-ethenylpyrrolidin-2-one?
The canonical SMILES for 3-decanoyl-1-ethenylpyrrolidin-2-one is C=CN1CCC(C(=O)CCCCCCCCC)C1=O.
What is the InChIKey of 3-decanoyl-1-ethenylpyrrolidin-2-one?
The InChIKey is DTPPBXPJBGAXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-6-7-8-9-10-11-15(18)14-12-13-17(4-2)16(14)19/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 3-decanoyl-1-ethenylpyrrolidin-2-one?
3-decanoyl-1-ethenylpyrrolidin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 86173868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).