1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone

C15H23NOS — CID 113418108

IUPAC1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCC(C(C)C)C2)s1
InChIInChI=1S/C15H23NOS/c1-4-13-5-6-15(18-13)14(17)10-16-8-7-12(9-16)11(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyKJAKDMUDNNQNHC-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.47
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone

1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 113418108) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID113418108
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CCC(C(C)C)C2)s1
InChIInChI=1S/C15H23NOS/c1-4-13-5-6-15(18-13)14(17)10-16-8-7-12(9-16)11(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyKJAKDMUDNNQNHC-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 113418108) is 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CCc1ccc(C(=O)CN2CCC(C(C)C)C2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is KJAKDMUDNNQNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-13-5-6-15(18-13)14(17)10-16-8-7-12(9-16)11(2)3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 265.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 113418108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).