1-pent-1-yn-3-ylpyrrolidine

C9H15N — CID 90908432

IUPAC1-pent-1-yn-3-ylpyrrolidine
SMILESC#CC(CC)N1CCCC1
InChIInChI=1S/C9H15N/c1-3-9(4-2)10-7-5-6-8-10/h1,9H,4-8H2,2H3
InChIKeyMEOIRHAYZLYKNE-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.49
Rot. Bonds2

About 1-pent-1-yn-3-ylpyrrolidine

1-pent-1-yn-3-ylpyrrolidine (PubChem CID 90908432) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-pent-1-yn-3-ylpyrrolidine.

Molecular Properties

Compound Name1-pent-1-yn-3-ylpyrrolidine
PubChem CID90908432
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-pent-1-yn-3-ylpyrrolidine
SMILESC#CC(CC)N1CCCC1
InChIInChI=1S/C9H15N/c1-3-9(4-2)10-7-5-6-8-10/h1,9H,4-8H2,2H3
InChIKeyMEOIRHAYZLYKNE-UHFFFAOYSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.49
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-pent-1-yn-3-ylpyrrolidine?
The IUPAC name of 1-pent-1-yn-3-ylpyrrolidine (CID 90908432) is 1-pent-1-yn-3-ylpyrrolidine.
What is the SMILES notation for 1-pent-1-yn-3-ylpyrrolidine?
The canonical SMILES for 1-pent-1-yn-3-ylpyrrolidine is C#CC(CC)N1CCCC1.
What is the InChIKey of 1-pent-1-yn-3-ylpyrrolidine?
The InChIKey is MEOIRHAYZLYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-9(4-2)10-7-5-6-8-10/h1,9H,4-8H2,2H3.
What are the key properties of 1-pent-1-yn-3-ylpyrrolidine?
1-pent-1-yn-3-ylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-yn-3-ylpyrrolidine is sourced from PubChem (CID 90908432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).