2-(1-cyanobutyl)thiophene-3-carbonitrile

C10H10N2S — CID 22393793

IUPAC2-(1-cyanobutyl)thiophene-3-carbonitrile
SMILESCCCC(C#N)c1sccc1C#N
InChIInChI=1S/C10H10N2S/c1-2-3-8(6-11)10-9(7-12)4-5-13-10/h4-5,8H,2-3H2,1H3
InChIKeyWNRURFLRGWUTQN-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-cyanobutyl)thiophene-3-carbonitrile

2-(1-cyanobutyl)thiophene-3-carbonitrile (PubChem CID 22393793) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(1-cyanobutyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(1-cyanobutyl)thiophene-3-carbonitrile
PubChem CID22393793
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-(1-cyanobutyl)thiophene-3-carbonitrile
SMILESCCCC(C#N)c1sccc1C#N
InChIInChI=1S/C10H10N2S/c1-2-3-8(6-11)10-9(7-12)4-5-13-10/h4-5,8H,2-3H2,1H3
InChIKeyWNRURFLRGWUTQN-UHFFFAOYSA-N
XLogP3.03
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanobutyl)thiophene-3-carbonitrile?
The IUPAC name of 2-(1-cyanobutyl)thiophene-3-carbonitrile (CID 22393793) is 2-(1-cyanobutyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-(1-cyanobutyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-(1-cyanobutyl)thiophene-3-carbonitrile is CCCC(C#N)c1sccc1C#N.
What is the InChIKey of 2-(1-cyanobutyl)thiophene-3-carbonitrile?
The InChIKey is WNRURFLRGWUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-3-8(6-11)10-9(7-12)4-5-13-10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-(1-cyanobutyl)thiophene-3-carbonitrile?
2-(1-cyanobutyl)thiophene-3-carbonitrile has a molecular weight of 190.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanobutyl)thiophene-3-carbonitrile is sourced from PubChem (CID 22393793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).