3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride

C17H20ClNOS — CID 2893244

IUPAC3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCC(c2ccccc2)C1)c1cccs1
InChIInChI=1S/C17H19NOS.ClH/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14;/h1-7,12,15H,8-11,13H2;1H
InChIKeyCHLNWFGCKBBGIO-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.23
Rot. Bonds5

About 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride

3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride (PubChem CID 2893244) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
PubChem CID2893244
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCC(c2ccccc2)C1)c1cccs1
InChIInChI=1S/C17H19NOS.ClH/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14;/h1-7,12,15H,8-11,13H2;1H
InChIKeyCHLNWFGCKBBGIO-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride (CID 2893244) is 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride is Cl.O=C(CCN1CCC(c2ccccc2)C1)c1cccs1.
What is the InChIKey of 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride?
The InChIKey is CHLNWFGCKBBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS.ClH/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14;/h1-7,12,15H,8-11,13H2;1H.
What are the key properties of 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride?
3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrrolidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 2893244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).