4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile

C11H12N2O2S — CID 79674560

IUPAC4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC(=O)c2cccs2)CCO1
InChIInChI=1S/C11H12N2O2S/c12-6-9-7-13(3-4-15-9)8-10(14)11-2-1-5-16-11/h1-2,5,9H,3-4,7-8H2
InChIKeyRYSQZGCEMCUKIW-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.16
Rot. Bonds3

About 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile

4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile (PubChem CID 79674560) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile
PubChem CID79674560
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC(=O)c2cccs2)CCO1
InChIInChI=1S/C11H12N2O2S/c12-6-9-7-13(3-4-15-9)8-10(14)11-2-1-5-16-11/h1-2,5,9H,3-4,7-8H2
InChIKeyRYSQZGCEMCUKIW-UHFFFAOYSA-N
XLogP1.16
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-nitrophenyl)-2-oxoethyl]morpholine-2-carbonitrile
CID 79674820
3-[(2-cyanomorpholin-4-yl)methyl]thiophene-2-carboxylic acid
CID 79674635
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-thiophen-2-ylethanone
CID 114679282
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
2-[3-(hydroxymethyl)azetidin-1-yl]-1-thiophen-2-ylethanone
CID 71650113
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]morpholine-2-carbonitrile
CID 111105473
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
3-(2-oxo-2-thiophen-2-ylethyl)-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 82363445
2-(2-oxo-2-thiophen-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863470
6-[(2-cyanomorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 106904230

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile (CID 79674560) is 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile is N#CC1CN(CC(=O)c2cccs2)CCO1.
What is the InChIKey of 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile?
The InChIKey is RYSQZGCEMCUKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c12-6-9-7-13(3-4-15-9)8-10(14)11-2-1-5-16-11/h1-2,5,9H,3-4,7-8H2.
What are the key properties of 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile?
4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile has a molecular weight of 236.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-thiophen-2-ylethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).