(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile

C7H5NOS — CID 98114034

IUPAC(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C/O)c1cccs1
InChIInChI=1S/C7H5NOS/c8-4-6(5-9)7-2-1-3-10-7/h1-3,5,9H/b6-5-
InChIKeyFQMRUXPSESSECC-WAYWQWQTSA-N
MW151.19 g/mol
LogP2.17
Rot. Bonds1

About (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile

(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile (PubChem CID 98114034) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile
PubChem CID98114034
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C(=C/O)c1cccs1
InChIInChI=1S/C7H5NOS/c8-4-6(5-9)7-2-1-3-10-7/h1-3,5,9H/b6-5-
InChIKeyFQMRUXPSESSECC-WAYWQWQTSA-N
XLogP2.17
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-thiophen-2-ylpent-2-enenitrile
CID 82074726
3-(4-bromophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 90809747
(E)-3-(3,4-dichlorophenyl)-2-thiophen-2-ylprop-2-enenitrile
CID 5378071
(2E,4Z)-4-sulfanyl-2-thiophen-2-ylhepta-2,4-dienenitrile
CID 163678098
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal
CID 119093865
4-[[(Z)-2-cyano-2-thiophen-2-ylethenyl]amino]benzoic acid
CID 2766405
3-methyl-2-thiophen-2-ylbut-2-enenitrile
CID 82074725
(E)-3-quinolin-4-yl-2-thiophen-2-ylprop-2-enenitrile
CID 11964707
(E)-3-(1,2-dihydroacenaphthylen-5-yl)-2-thiophen-2-ylprop-2-enenitrile
CID 102248529
3,3-bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
CID 2781085
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
3-[5-[4-[5-(2-cyano-2-thiophen-2-ylethenyl)thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]-2-thiophen-2-ylprop-2-enenitrile
CID 123663793

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile (CID 98114034) is (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile is N#C/C(=C/O)c1cccs1.
What is the InChIKey of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile?
The InChIKey is FQMRUXPSESSECC-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H5NOS/c8-4-6(5-9)7-2-1-3-10-7/h1-3,5,9H/b6-5-.
What are the key properties of (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile?
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile has a molecular weight of 151.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 98114034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).