3-hydroxy-3-thiophen-3-ylpropanenitrile

C7H7NOS — CID 10261282

IUPAC3-hydroxy-3-thiophen-3-ylpropanenitrile
SMILESN#CCC(O)c1ccsc1
InChIInChI=1S/C7H7NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7,9H,1H2
InChIKeyXQBRBXQFSGWXQC-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.70
Rot. Bonds2

About 3-hydroxy-3-thiophen-3-ylpropanenitrile

3-hydroxy-3-thiophen-3-ylpropanenitrile (PubChem CID 10261282) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 3-hydroxy-3-thiophen-3-ylpropanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-thiophen-3-ylpropanenitrile
PubChem CID10261282
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name3-hydroxy-3-thiophen-3-ylpropanenitrile
SMILESN#CCC(O)c1ccsc1
InChIInChI=1S/C7H7NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7,9H,1H2
InChIKeyXQBRBXQFSGWXQC-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-(thiophen-2-yl)acetonitrile
CID 11094701
2-(Hydroxymethyl)thiophene-3-carbonitrile
CID 19350977
(2S)-2-hydroxy-2-(thiophen-3-yl)acetonitrile
CID 11105436
3-Amino-1-(thiophen-3-yl)propan-1-ol
CID 65185005
(S)-3-hydroxy-3-(2-thienyl) propanenitrile
CID 10329466
(alphaS)-alpha-Methyl-3-thiophenemethanol
CID 11297979
(1S,2R)-2-fluoro-1-(thiophen-3-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415754
2-Methoxy-2-(thiophen-3-yl)acetonitrile
CID 66070495
beta-Hydroxy-2-thiophenepropanenitrile
CID 11252121
(3R)-3-hydroxy-3-thiophen-2-ylpropanenitrile
CID 11367110
Thien-2-yl-hydroxyacetonitrile
CID 11469116
(1R)-1-(thiophen-3-yl)ethan-1-ol
CID 11528346

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-thiophen-3-ylpropanenitrile?
The IUPAC name of 3-hydroxy-3-thiophen-3-ylpropanenitrile (CID 10261282) is 3-hydroxy-3-thiophen-3-ylpropanenitrile.
What is the SMILES notation for 3-hydroxy-3-thiophen-3-ylpropanenitrile?
The canonical SMILES for 3-hydroxy-3-thiophen-3-ylpropanenitrile is N#CCC(O)c1ccsc1.
What is the InChIKey of 3-hydroxy-3-thiophen-3-ylpropanenitrile?
The InChIKey is XQBRBXQFSGWXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7,9H,1H2.
What are the key properties of 3-hydroxy-3-thiophen-3-ylpropanenitrile?
3-hydroxy-3-thiophen-3-ylpropanenitrile has a molecular weight of 153.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-thiophen-3-ylpropanenitrile is sourced from PubChem (CID 10261282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).