5-(3-hydroxypropyl)thiophene-2-carbonitrile

C8H9NOS — CID 22393719

IUPAC5-(3-hydroxypropyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(CCCO)s1
InChIInChI=1S/C8H9NOS/c9-6-8-4-3-7(11-8)2-1-5-10/h3-4,10H,1-2,5H2
InChIKeyDZRJUFPYNAGRDX-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.54
Rot. Bonds3

About 5-(3-hydroxypropyl)thiophene-2-carbonitrile

5-(3-hydroxypropyl)thiophene-2-carbonitrile (PubChem CID 22393719) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-hydroxypropyl)thiophene-2-carbonitrile
PubChem CID22393719
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name5-(3-hydroxypropyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(CCCO)s1
InChIInChI=1S/C8H9NOS/c9-6-8-4-3-7(11-8)2-1-5-10/h3-4,10H,1-2,5H2
InChIKeyDZRJUFPYNAGRDX-UHFFFAOYSA-N
XLogP1.54
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3-hydroxypropyl)thiophene-2-carbonitrile (CID 22393719) is 5-(3-hydroxypropyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-hydroxypropyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3-hydroxypropyl)thiophene-2-carbonitrile is N#Cc1ccc(CCCO)s1.
What is the InChIKey of 5-(3-hydroxypropyl)thiophene-2-carbonitrile?
The InChIKey is DZRJUFPYNAGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c9-6-8-4-3-7(11-8)2-1-5-10/h3-4,10H,1-2,5H2.
What are the key properties of 5-(3-hydroxypropyl)thiophene-2-carbonitrile?
5-(3-hydroxypropyl)thiophene-2-carbonitrile has a molecular weight of 167.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)thiophene-2-carbonitrile is sourced from PubChem (CID 22393719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).