2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one

C19H23NOS — CID 11209208

IUPAC2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one
SMILESCCCC(C(=O)c1ccc(-c2cccs2)cc1)N1CCCC1
InChIInChI=1S/C19H23NOS/c1-2-6-17(20-12-3-4-13-20)19(21)16-10-8-15(9-11-16)18-7-5-14-22-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3
InChIKeyHEFDYDISPNHKAM-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.86
Rot. Bonds6

About 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one

2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one (PubChem CID 11209208) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one
PubChem CID11209208
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one
SMILESCCCC(C(=O)c1ccc(-c2cccs2)cc1)N1CCCC1
InChIInChI=1S/C19H23NOS/c1-2-6-17(20-12-3-4-13-20)19(21)16-10-8-15(9-11-16)18-7-5-14-22-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3
InChIKeyHEFDYDISPNHKAM-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one?
The IUPAC name of 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one (CID 11209208) is 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one?
The canonical SMILES for 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one is CCCC(C(=O)c1ccc(-c2cccs2)cc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one?
The InChIKey is HEFDYDISPNHKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-2-6-17(20-12-3-4-13-20)19(21)16-10-8-15(9-11-16)18-7-5-14-22-18/h5,7-11,14,17H,2-4,6,12-13H2,1H3.
What are the key properties of 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one?
2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one has a molecular weight of 313.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-(4-thiophen-2-ylphenyl)pentan-1-one is sourced from PubChem (CID 11209208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).