1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine

C17H22N2 — CID 62339543

IUPAC1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESC(#Cc1ccccc1)CN1CCCC1C1CCCN1
InChIInChI=1S/C17H22N2/c1-2-7-15(8-3-1)9-5-13-19-14-6-11-17(19)16-10-4-12-18-16/h1-3,7-8,16-18H,4,6,10-14H2
InChIKeyWNTICUSXPZIWNR-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine

1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62339543) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62339543
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESC(#Cc1ccccc1)CN1CCCC1C1CCCN1
InChIInChI=1S/C17H22N2/c1-2-7-15(8-3-1)9-5-13-19-14-6-11-17(19)16-10-4-12-18-16/h1-3,7-8,16-18H,4,6,10-14H2
InChIKeyWNTICUSXPZIWNR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.25
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-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine (CID 62339543) is 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine is C(#Cc1ccccc1)CN1CCCC1C1CCCN1.
What is the InChIKey of 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is WNTICUSXPZIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-7-15(8-3-1)9-5-13-19-14-6-11-17(19)16-10-4-12-18-16/h1-3,7-8,16-18H,4,6,10-14H2.
What are the key properties of 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 254.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62339543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).