1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine

C11H21N — CID 130222099

IUPAC1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine
SMILESC=CN1CCC(CC)(C(C)C)C1
InChIInChI=1S/C11H21N/c1-5-11(10(3)4)7-8-12(6-2)9-11/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyMUMIDNRCLHEMGH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds3

About 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine

1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine (PubChem CID 130222099) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine
PubChem CID130222099
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine
SMILESC=CN1CCC(CC)(C(C)C)C1
InChIInChI=1S/C11H21N/c1-5-11(10(3)4)7-8-12(6-2)9-11/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyMUMIDNRCLHEMGH-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine (CID 130222099) is 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine is C=CN1CCC(CC)(C(C)C)C1.
What is the InChIKey of 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine?
The InChIKey is MUMIDNRCLHEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(10(3)4)7-8-12(6-2)9-11/h6,10H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine?
1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 130222099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).