cyclododecyl 2-pyrrolidin-1-ylacetate

C18H33NO2 — CID 931561

IUPACcyclododecyl 2-pyrrolidin-1-ylacetate
SMILESO=C(CN1CCCC1)OC1CCCCCCCCCCC1
InChIInChI=1S/C18H33NO2/c20-18(16-19-14-10-11-15-19)21-17-12-8-6-4-2-1-3-5-7-9-13-17/h17H,1-16H2
InChIKeyKDCSDMZPVMDUKR-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.30
Rot. Bonds3

About cyclododecyl 2-pyrrolidin-1-ylacetate

cyclododecyl 2-pyrrolidin-1-ylacetate (PubChem CID 931561) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is cyclododecyl 2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namecyclododecyl 2-pyrrolidin-1-ylacetate
PubChem CID931561
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Namecyclododecyl 2-pyrrolidin-1-ylacetate
SMILESO=C(CN1CCCC1)OC1CCCCCCCCCCC1
InChIInChI=1S/C18H33NO2/c20-18(16-19-14-10-11-15-19)21-17-12-8-6-4-2-1-3-5-7-9-13-17/h17H,1-16H2
InChIKeyKDCSDMZPVMDUKR-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclododecyl 2-pyrrolidin-1-ylacetate?
The IUPAC name of cyclododecyl 2-pyrrolidin-1-ylacetate (CID 931561) is cyclododecyl 2-pyrrolidin-1-ylacetate.
What is the SMILES notation for cyclododecyl 2-pyrrolidin-1-ylacetate?
The canonical SMILES for cyclododecyl 2-pyrrolidin-1-ylacetate is O=C(CN1CCCC1)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl 2-pyrrolidin-1-ylacetate?
The InChIKey is KDCSDMZPVMDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c20-18(16-19-14-10-11-15-19)21-17-12-8-6-4-2-1-3-5-7-9-13-17/h17H,1-16H2.
What are the key properties of cyclododecyl 2-pyrrolidin-1-ylacetate?
cyclododecyl 2-pyrrolidin-1-ylacetate has a molecular weight of 295.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl 2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 931561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).