3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine

C12H21N — CID 163818146

IUPAC3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine
SMILESC=CC1CC(CC(C)(C)C)C(=C)N1
InChIInChI=1S/C12H21N/c1-6-11-7-10(9(2)13-11)8-12(3,4)5/h6,10-11,13H,1-2,7-8H2,3-5H3
InChIKeyCMYLWXNKNQUGQQ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.10
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine

3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine (PubChem CID 163818146) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine
PubChem CID163818146
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine
SMILESC=CC1CC(CC(C)(C)C)C(=C)N1
InChIInChI=1S/C12H21N/c1-6-11-7-10(9(2)13-11)8-12(3,4)5/h6,10-11,13H,1-2,7-8H2,3-5H3
InChIKeyCMYLWXNKNQUGQQ-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine (CID 163818146) is 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine is C=CC1CC(CC(C)(C)C)C(=C)N1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine?
The InChIKey is CMYLWXNKNQUGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11-7-10(9(2)13-11)8-12(3,4)5/h6,10-11,13H,1-2,7-8H2,3-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine?
3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-ethenyl-2-methylidenepyrrolidine is sourced from PubChem (CID 163818146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).