1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine

C15H25N — CID 558441

IUPAC1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine
SMILESCC1=C(C)C(CCN2CCCC2)C(C)=C1C
InChIInChI=1S/C15H25N/c1-11-12(2)14(4)15(13(11)3)7-10-16-8-5-6-9-16/h15H,5-10H2,1-4H3
InChIKeyDIAZRWGUKXJUOR-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds3

About 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine

1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine (PubChem CID 558441) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine
PubChem CID558441
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine
SMILESCC1=C(C)C(CCN2CCCC2)C(C)=C1C
InChIInChI=1S/C15H25N/c1-11-12(2)14(4)15(13(11)3)7-10-16-8-5-6-9-16/h15H,5-10H2,1-4H3
InChIKeyDIAZRWGUKXJUOR-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine (CID 558441) is 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine is CC1=C(C)C(CCN2CCCC2)C(C)=C1C.
What is the InChIKey of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine?
The InChIKey is DIAZRWGUKXJUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11-12(2)14(4)15(13(11)3)7-10-16-8-5-6-9-16/h15H,5-10H2,1-4H3.
What are the key properties of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine?
1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 558441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).