2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile

C10H10N2OS — CID 68756922

IUPAC2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile
SMILESN#Cc1ccsc1N1CCC(=O)CC1
InChIInChI=1S/C10H10N2OS/c11-7-8-3-6-14-10(8)12-4-1-9(13)2-5-12/h3,6H,1-2,4-5H2
InChIKeyKOYNXBMGWQRCBW-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.79
Rot. Bonds1

About 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile

2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile (PubChem CID 68756922) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile
PubChem CID68756922
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile
SMILESN#Cc1ccsc1N1CCC(=O)CC1
InChIInChI=1S/C10H10N2OS/c11-7-8-3-6-14-10(8)12-4-1-9(13)2-5-12/h3,6H,1-2,4-5H2
InChIKeyKOYNXBMGWQRCBW-UHFFFAOYSA-N
XLogP1.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile (CID 68756922) is 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile is N#Cc1ccsc1N1CCC(=O)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile?
The InChIKey is KOYNXBMGWQRCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-7-8-3-6-14-10(8)12-4-1-9(13)2-5-12/h3,6H,1-2,4-5H2.
What are the key properties of 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile?
2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile has a molecular weight of 206.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 68756922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).