1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol

C14H17NO — CID 2851843

IUPAC1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
SMILESOC(C#CCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(13-7-2-1-3-8-13)9-6-12-15-10-4-5-11-15/h1-3,7-8,14,16H,4-5,10-12H2
InChIKeyUVFFBARLBVKJGA-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.82
Rot. Bonds2

About 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol

1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol (PubChem CID 2851843) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
PubChem CID2851843
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
SMILESOC(C#CCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(13-7-2-1-3-8-13)9-6-12-15-10-4-5-11-15/h1-3,7-8,14,16H,4-5,10-12H2
InChIKeyUVFFBARLBVKJGA-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
The IUPAC name of 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol (CID 2851843) is 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
The canonical SMILES for 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is OC(C#CCN1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
The InChIKey is UVFFBARLBVKJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(13-7-2-1-3-8-13)9-6-12-15-10-4-5-11-15/h1-3,7-8,14,16H,4-5,10-12H2.
What are the key properties of 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol has a molecular weight of 215.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is sourced from PubChem (CID 2851843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).