3-tert-butyl-1-ethenylpyrrolidine

C10H19N — CID 134492416

IUPAC3-tert-butyl-1-ethenylpyrrolidine
SMILESC=CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C10H19N/c1-5-11-7-6-9(8-11)10(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyHEWCELFSDNFSDF-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.50
Rot. Bonds1

About 3-tert-butyl-1-ethenylpyrrolidine

3-tert-butyl-1-ethenylpyrrolidine (PubChem CID 134492416) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-tert-butyl-1-ethenylpyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-ethenylpyrrolidine
PubChem CID134492416
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-tert-butyl-1-ethenylpyrrolidine
SMILESC=CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C10H19N/c1-5-11-7-6-9(8-11)10(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyHEWCELFSDNFSDF-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3,4-Tetramethyl-4-propan-2-ylpyrrolidine
CID 18713582
3-Tert-butyl-1-methylpyrrolidine
CID 22972486
3-Tert-butyl-1-ethylpyrrolidine
CID 57526791
3-Tert-butyl-1-(2-methylpropyl)pyrrolidine
CID 58227813
3-Tert-butyl-1,1,4-trimethylpyrrolidin-1-ium
CID 58307592
3-Tert-butyl-1,4-dimethylpyrrolidine
CID 58307597
1-Ethyl-3,3-di(propan-2-yl)pyrrolidine
CID 58745653
1-Methyl-3,3-di(propan-2-yl)pyrrolidine
CID 58745655
(3R)-3-tert-butyl-1-ethylpyrrolidine
CID 58837520
(3R)-3-tert-butyl-1-methylpyrrolidine
CID 58837566
4-Ethyl-1,3,3-trimethylpyrrolidine
CID 58944822
1,3,3-Trimethyl-4-propan-2-ylpyrrolidine
CID 58945036

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethenylpyrrolidine?
The IUPAC name of 3-tert-butyl-1-ethenylpyrrolidine (CID 134492416) is 3-tert-butyl-1-ethenylpyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-ethenylpyrrolidine?
The canonical SMILES for 3-tert-butyl-1-ethenylpyrrolidine is C=CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-ethenylpyrrolidine?
The InChIKey is HEWCELFSDNFSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-11-7-6-9(8-11)10(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 3-tert-butyl-1-ethenylpyrrolidine?
3-tert-butyl-1-ethenylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethenylpyrrolidine is sourced from PubChem (CID 134492416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).