5-(1-hydroxyethyl)thiophene-2-carbonitrile

C7H7NOS — CID 45085953

IUPAC5-(1-hydroxyethyl)thiophene-2-carbonitrile
SMILESCC(O)c1ccc(C#N)s1
InChIInChI=1S/C7H7NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,9H,1H3
InChIKeyIGCHXOJQJCMNQS-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.67
Rot. Bonds1

About 5-(1-hydroxyethyl)thiophene-2-carbonitrile

5-(1-hydroxyethyl)thiophene-2-carbonitrile (PubChem CID 45085953) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(1-hydroxyethyl)thiophene-2-carbonitrile
PubChem CID45085953
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name5-(1-hydroxyethyl)thiophene-2-carbonitrile
SMILESCC(O)c1ccc(C#N)s1
InChIInChI=1S/C7H7NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,9H,1H3
InChIKeyIGCHXOJQJCMNQS-UHFFFAOYSA-N
XLogP1.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-Methyl-2-thiophenemethanol
CID 102782
(5-Methylthiophen-2-yl)methanol
CID 528074
(1S)-1-(thiophen-2-yl)ethan-1-ol
CID 10887923
1-(Thiophen-2-yl)propan-1-ol
CID 13566813
(1R)-1-(2-Thienyl)ethanol
CID 11062410
(2R)-2-hydroxy-2-(thiophen-2-yl)acetonitrile
CID 11094701
2-(Hydroxymethyl)thiophene-3-carbonitrile
CID 19350977
alpha-Pentyl-2-thiophenemethanol
CID 17837564
(S)-3-hydroxy-3-(2-thienyl) propanenitrile
CID 10329466
(1S)-1-thiophen-2-ylpropan-1-ol
CID 11480502
(R)-methoxy(5-methyl-2-thienyl)acetonitrile
CID 97030924
beta-Hydroxy-2-thiophenepropanenitrile
CID 11252121

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(1-hydroxyethyl)thiophene-2-carbonitrile (CID 45085953) is 5-(1-hydroxyethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(1-hydroxyethyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(1-hydroxyethyl)thiophene-2-carbonitrile is CC(O)c1ccc(C#N)s1.
What is the InChIKey of 5-(1-hydroxyethyl)thiophene-2-carbonitrile?
The InChIKey is IGCHXOJQJCMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3,5,9H,1H3.
What are the key properties of 5-(1-hydroxyethyl)thiophene-2-carbonitrile?
5-(1-hydroxyethyl)thiophene-2-carbonitrile has a molecular weight of 153.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 45085953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).