3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one

C17H29NO2 — CID 134877265

IUPAC3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one
SMILESC=CN1CCC(C)(C(=O)CCCCCCCCC)C1=O
InChIInChI=1S/C17H29NO2/c1-4-6-7-8-9-10-11-12-15(19)17(3)13-14-18(5-2)16(17)20/h5H,2,4,6-14H2,1,3H3
InChIKeyDPSLMGUUAZOCPS-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.08
Rot. Bonds10

About 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one

3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one (PubChem CID 134877265) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one
PubChem CID134877265
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one
SMILESC=CN1CCC(C)(C(=O)CCCCCCCCC)C1=O
InChIInChI=1S/C17H29NO2/c1-4-6-7-8-9-10-11-12-15(19)17(3)13-14-18(5-2)16(17)20/h5H,2,4,6-14H2,1,3H3
InChIKeyDPSLMGUUAZOCPS-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.08
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-ethenyl-3-methylpyrrolidin-2-one?
The IUPAC name of 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one (CID 134877265) is 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one is C=CN1CCC(C)(C(=O)CCCCCCCCC)C1=O.
What is the InChIKey of 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one?
The InChIKey is DPSLMGUUAZOCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-7-8-9-10-11-12-15(19)17(3)13-14-18(5-2)16(17)20/h5H,2,4,6-14H2,1,3H3.
What are the key properties of 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one?
3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one has a molecular weight of 279.42 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-1-ethenyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 134877265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).