3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine

C12H21NO — CID 104940360

IUPAC3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine
SMILESCC1(C)CC(=C2CCNC2)C(C)(C)O1
InChIInChI=1S/C12H21NO/c1-11(2)7-10(12(3,4)14-11)9-5-6-13-8-9/h13H,5-8H2,1-4H3
InChIKeyCPONSCIYGPYBBL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds

About 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine

3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine (PubChem CID 104940360) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine
PubChem CID104940360
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine
SMILESCC1(C)CC(=C2CCNC2)C(C)(C)O1
InChIInChI=1S/C12H21NO/c1-11(2)7-10(12(3,4)14-11)9-5-6-13-8-9/h13H,5-8H2,1-4H3
InChIKeyCPONSCIYGPYBBL-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine (CID 104940360) is 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine is CC1(C)CC(=C2CCNC2)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine?
The InChIKey is CPONSCIYGPYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)7-10(12(3,4)14-11)9-5-6-13-8-9/h13H,5-8H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine?
3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-ylidene)pyrrolidine is sourced from PubChem (CID 104940360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).