1-ethenyl-2,2,4-trimethylpyrrolidine

C9H17N — CID 138674015

IUPAC1-ethenyl-2,2,4-trimethylpyrrolidine
SMILESC=CN1CC(C)CC1(C)C
InChIInChI=1S/C9H17N/c1-5-10-7-8(2)6-9(10,3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyJIJKDJDBFUTJOI-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About 1-ethenyl-2,2,4-trimethylpyrrolidine

1-ethenyl-2,2,4-trimethylpyrrolidine (PubChem CID 138674015) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-ethenyl-2,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name1-ethenyl-2,2,4-trimethylpyrrolidine
PubChem CID138674015
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-ethenyl-2,2,4-trimethylpyrrolidine
SMILESC=CN1CC(C)CC1(C)C
InChIInChI=1S/C9H17N/c1-5-10-7-8(2)6-9(10,3)4/h5,8H,1,6-7H2,2-4H3
InChIKeyJIJKDJDBFUTJOI-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-ethenyl-2-ethyl-2-methylpyrrolidine
CID 134972182
1-Tert-butyl-1-ethenylpyrrolidin-1-ium
CID 53659184
1-Ethenyl-3-propylpyrrolidine
CID 91360091
N-tert-butyl-N-ethenyl-2,4-dimethylpentan-2-amine
CID 123354922
1-Ethenyl-3-ethylpyrrolidine
CID 123531474
2-Tert-butyl-1-ethenylpyrrolidine
CID 126620960
1-Ethenyl-2,4,4-trimethylpyrrolidine
CID 129071209
1-Ethenyl-3-ethyl-3-propan-2-ylpyrrolidine
CID 130222099
N-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 131998685
N-ethenyl-N,2-dimethylhexan-2-amine
CID 134224431
1-Ethenyl-2-ethyl-4-methylpyrrolidine
CID 134378790
3-Tert-butyl-1-ethenylpyrrolidine
CID 134492416

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,2,4-trimethylpyrrolidine?
The IUPAC name of 1-ethenyl-2,2,4-trimethylpyrrolidine (CID 138674015) is 1-ethenyl-2,2,4-trimethylpyrrolidine.
What is the SMILES notation for 1-ethenyl-2,2,4-trimethylpyrrolidine?
The canonical SMILES for 1-ethenyl-2,2,4-trimethylpyrrolidine is C=CN1CC(C)CC1(C)C.
What is the InChIKey of 1-ethenyl-2,2,4-trimethylpyrrolidine?
The InChIKey is JIJKDJDBFUTJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-10-7-8(2)6-9(10,3)4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 1-ethenyl-2,2,4-trimethylpyrrolidine?
1-ethenyl-2,2,4-trimethylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,2,4-trimethylpyrrolidine is sourced from PubChem (CID 138674015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).