3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one

C14H16N2OS — CID 82516740

IUPAC3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
SMILESCC(N)c1ccc(-c2cccs2)n(C2CC2)c1=O
InChIInChI=1S/C14H16N2OS/c1-9(15)11-6-7-12(13-3-2-8-18-13)16(14(11)17)10-4-5-10/h2-3,6-10H,4-5,15H2,1H3
InChIKeyWKVHGJMNJZEEPX-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.93
Rot. Bonds3

About 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one

3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516740) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
PubChem CID82516740
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one
SMILESCC(N)c1ccc(-c2cccs2)n(C2CC2)c1=O
InChIInChI=1S/C14H16N2OS/c1-9(15)11-6-7-12(13-3-2-8-18-13)16(14(11)17)10-4-5-10/h2-3,6-10H,4-5,15H2,1H3
InChIKeyWKVHGJMNJZEEPX-UHFFFAOYSA-N
XLogP2.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one (CID 82516740) is 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one is CC(N)c1ccc(-c2cccs2)n(C2CC2)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one?
The InChIKey is WKVHGJMNJZEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9(15)11-6-7-12(13-3-2-8-18-13)16(14(11)17)10-4-5-10/h2-3,6-10H,4-5,15H2,1H3.
What are the key properties of 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one?
3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-cyclopropyl-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).