4-ethenyl-2,2-dimethylpyrrolidine

C8H15N — CID 145126401

IUPAC4-ethenyl-2,2-dimethylpyrrolidine
SMILESC=CC1CNC(C)(C)C1
InChIInChI=1S/C8H15N/c1-4-7-5-8(2,3)9-6-7/h4,7,9H,1,5-6H2,2-3H3
InChIKeyPFTHPQCTNCLFDI-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds1

About 4-ethenyl-2,2-dimethylpyrrolidine

4-ethenyl-2,2-dimethylpyrrolidine (PubChem CID 145126401) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethylpyrrolidine
PubChem CID145126401
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-ethenyl-2,2-dimethylpyrrolidine
SMILESC=CC1CNC(C)(C)C1
InChIInChI=1S/C8H15N/c1-4-7-5-8(2,3)9-6-7/h4,7,9H,1,5-6H2,2-3H3
InChIKeyPFTHPQCTNCLFDI-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde
CID 141296159
6-ethenyl-4-azaspiro[2.4]heptane
CID 145003259
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
(2S,7R,9R,14R)-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 139079648
2,2-dimethyl-4-propan-2-ylpyrrolidine
CID 117269783
(3S)-5,5-dimethylpyrrolidine-3-carboxamide
CID 129142107
5-ethenyl-3,3-dimethylcyclohexan-1-ol
CID 58534468
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
CID 163966943
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
5,5-dimethylpyrrolidine-3-sulfonamide;hydrochloride
CID 146150570
(4S)-4-butyl-2,2-dimethylpyrrolidine
CID 139399971
(6S)-2,2,4,4,6-pentamethylazepane
CID 167029164

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethylpyrrolidine?
The IUPAC name of 4-ethenyl-2,2-dimethylpyrrolidine (CID 145126401) is 4-ethenyl-2,2-dimethylpyrrolidine.
What is the SMILES notation for 4-ethenyl-2,2-dimethylpyrrolidine?
The canonical SMILES for 4-ethenyl-2,2-dimethylpyrrolidine is C=CC1CNC(C)(C)C1.
What is the InChIKey of 4-ethenyl-2,2-dimethylpyrrolidine?
The InChIKey is PFTHPQCTNCLFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-7-5-8(2,3)9-6-7/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 4-ethenyl-2,2-dimethylpyrrolidine?
4-ethenyl-2,2-dimethylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethylpyrrolidine is sourced from PubChem (CID 145126401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).