1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine

C11H17N — CID 558409

IUPAC1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine
SMILESC1=CCC(CCN2CCCC2)=C1
InChIInChI=1S/C11H17N/c1-2-6-11(5-1)7-10-12-8-3-4-9-12/h1-2,5H,3-4,6-10H2
InChIKeyMHEJAFMLLUZSMK-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine

1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine (PubChem CID 558409) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine
PubChem CID558409
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine
SMILESC1=CCC(CCN2CCCC2)=C1
InChIInChI=1S/C11H17N/c1-2-6-11(5-1)7-10-12-8-3-4-9-12/h1-2,5H,3-4,6-10H2
InChIKeyMHEJAFMLLUZSMK-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine (CID 558409) is 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine is C1=CCC(CCN2CCCC2)=C1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine?
The InChIKey is MHEJAFMLLUZSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-6-11(5-1)7-10-12-8-3-4-9-12/h1-2,5H,3-4,6-10H2.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine?
1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylethyl)pyrrolidine is sourced from PubChem (CID 558409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).