1-(3-ethylpent-1-yn-3-yl)pyrrolidine

C11H19N — CID 585803

IUPAC1-(3-ethylpent-1-yn-3-yl)pyrrolidine
SMILESC#CC(CC)(CC)N1CCCC1
InChIInChI=1S/C11H19N/c1-4-11(5-2,6-3)12-9-7-8-10-12/h1H,5-10H2,2-3H3
InChIKeyKHFZSXVUPAIVJP-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds3

About 1-(3-ethylpent-1-yn-3-yl)pyrrolidine

1-(3-ethylpent-1-yn-3-yl)pyrrolidine (PubChem CID 585803) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(3-ethylpent-1-yn-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-ethylpent-1-yn-3-yl)pyrrolidine
PubChem CID585803
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(3-ethylpent-1-yn-3-yl)pyrrolidine
SMILESC#CC(CC)(CC)N1CCCC1
InChIInChI=1S/C11H19N/c1-4-11(5-2,6-3)12-9-7-8-10-12/h1H,5-10H2,2-3H3
InChIKeyKHFZSXVUPAIVJP-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpent-1-yn-3-yl)pyrrolidine?
The IUPAC name of 1-(3-ethylpent-1-yn-3-yl)pyrrolidine (CID 585803) is 1-(3-ethylpent-1-yn-3-yl)pyrrolidine.
What is the SMILES notation for 1-(3-ethylpent-1-yn-3-yl)pyrrolidine?
The canonical SMILES for 1-(3-ethylpent-1-yn-3-yl)pyrrolidine is C#CC(CC)(CC)N1CCCC1.
What is the InChIKey of 1-(3-ethylpent-1-yn-3-yl)pyrrolidine?
The InChIKey is KHFZSXVUPAIVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-11(5-2,6-3)12-9-7-8-10-12/h1H,5-10H2,2-3H3.
What are the key properties of 1-(3-ethylpent-1-yn-3-yl)pyrrolidine?
1-(3-ethylpent-1-yn-3-yl)pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpent-1-yn-3-yl)pyrrolidine is sourced from PubChem (CID 585803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).