dodecyl 2-(2-oxopyrrolidin-1-yl)acetate

C18H33NO3 — CID 10267479

IUPACdodecyl 2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCCCCCCCCCCCOC(=O)CN1CCCC1=O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-15-22-18(21)16-19-14-12-13-17(19)20/h2-16H2,1H3
InChIKeyZCPBSQBRXUJQQS-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.07
Rot. Bonds13

About dodecyl 2-(2-oxopyrrolidin-1-yl)acetate

dodecyl 2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 10267479) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is dodecyl 2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namedodecyl 2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID10267479
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Namedodecyl 2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCCCCCCCCCCCOC(=O)CN1CCCC1=O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-15-22-18(21)16-19-14-12-13-17(19)20/h2-16H2,1H3
InChIKeyZCPBSQBRXUJQQS-UHFFFAOYSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dodecyl 2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of dodecyl 2-(2-oxopyrrolidin-1-yl)acetate (CID 10267479) is dodecyl 2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for dodecyl 2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for dodecyl 2-(2-oxopyrrolidin-1-yl)acetate is CCCCCCCCCCCCOC(=O)CN1CCCC1=O.
What is the InChIKey of dodecyl 2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is ZCPBSQBRXUJQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-15-22-18(21)16-19-14-12-13-17(19)20/h2-16H2,1H3.
What are the key properties of dodecyl 2-(2-oxopyrrolidin-1-yl)acetate?
dodecyl 2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 311.47 g/mol, XLogP of 4.07, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 10267479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).