3-oxo-6-thiophen-2-ylhexanenitrile

C10H11NOS — CID 28905616

IUPAC3-oxo-6-thiophen-2-ylhexanenitrile
SMILESN#CCC(=O)CCCc1cccs1
InChIInChI=1S/C10H11NOS/c11-7-6-9(12)3-1-4-10-5-2-8-13-10/h2,5,8H,1,3-4,6H2
InChIKeyKFTUBPOPQPMBDA-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.55
Rot. Bonds5

About 3-oxo-6-thiophen-2-ylhexanenitrile

3-oxo-6-thiophen-2-ylhexanenitrile (PubChem CID 28905616) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-oxo-6-thiophen-2-ylhexanenitrile.

Molecular Properties

Compound Name3-oxo-6-thiophen-2-ylhexanenitrile
PubChem CID28905616
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-oxo-6-thiophen-2-ylhexanenitrile
SMILESN#CCC(=O)CCCc1cccs1
InChIInChI=1S/C10H11NOS/c11-7-6-9(12)3-1-4-10-5-2-8-13-10/h2,5,8H,1,3-4,6H2
InChIKeyKFTUBPOPQPMBDA-UHFFFAOYSA-N
XLogP2.55
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
6-thiophen-2-ylhexanamide
CID 137320292
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
3-thiophen-2-ylpropan-1-ol
CID 13109866
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
N-(3-cyanopropylsulfonyl)-3-thiophen-2-ylpropanamide
CID 84597060
(3-acetylphenyl) 4-thiophen-2-ylbutanoate
CID 86975484

Frequently Asked Questions

What is the IUPAC name of 3-oxo-6-thiophen-2-ylhexanenitrile?
The IUPAC name of 3-oxo-6-thiophen-2-ylhexanenitrile (CID 28905616) is 3-oxo-6-thiophen-2-ylhexanenitrile.
What is the SMILES notation for 3-oxo-6-thiophen-2-ylhexanenitrile?
The canonical SMILES for 3-oxo-6-thiophen-2-ylhexanenitrile is N#CCC(=O)CCCc1cccs1.
What is the InChIKey of 3-oxo-6-thiophen-2-ylhexanenitrile?
The InChIKey is KFTUBPOPQPMBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c11-7-6-9(12)3-1-4-10-5-2-8-13-10/h2,5,8H,1,3-4,6H2.
What are the key properties of 3-oxo-6-thiophen-2-ylhexanenitrile?
3-oxo-6-thiophen-2-ylhexanenitrile has a molecular weight of 193.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-6-thiophen-2-ylhexanenitrile is sourced from PubChem (CID 28905616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).