(Z)-3-thiophen-2-ylbut-2-enal

C8H8OS — CID 87836087

IUPAC(Z)-3-thiophen-2-ylbut-2-enal
SMILESC/C(=C/C=O)c1cccs1
InChIInChI=1S/C8H8OS/c1-7(4-5-9)8-3-2-6-10-8/h2-6H,1H3/b7-4-
InChIKeyOJHKDVONDPDPFP-DAXSKMNVSA-N
MW152.22 g/mol
LogP2.35
Rot. Bonds2

About (Z)-3-thiophen-2-ylbut-2-enal

(Z)-3-thiophen-2-ylbut-2-enal (PubChem CID 87836087) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is (Z)-3-thiophen-2-ylbut-2-enal.

Molecular Properties

Compound Name(Z)-3-thiophen-2-ylbut-2-enal
PubChem CID87836087
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name(Z)-3-thiophen-2-ylbut-2-enal
SMILESC/C(=C/C=O)c1cccs1
InChIInChI=1S/C8H8OS/c1-7(4-5-9)8-3-2-6-10-8/h2-6H,1H3/b7-4-
InChIKeyOJHKDVONDPDPFP-DAXSKMNVSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3-thiophen-2-ylpent-2-enal
CID 174361029
(E)-3-chloro-3-thiophen-2-ylprop-2-enal
CID 79002205
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
(E)-2-thiophen-2-ylbut-2-enedial
CID 12654453
2,2-dimethyl-5-thiophen-2-ylhex-4-en-3-one
CID 71404653
2,3-dimethyl-1-thiophen-2-ylbut-2-en-1-one
CID 131801030
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(E)-4-thiophen-2-ylpent-3-en-1-amine
CID 82074766
formyl thiophene-2-carboxylate
CID 22645353
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal
CID 10678894
azane;formyl thiophene-2-carboxylate
CID 174676100

Frequently Asked Questions

What is the IUPAC name of (Z)-3-thiophen-2-ylbut-2-enal?
The IUPAC name of (Z)-3-thiophen-2-ylbut-2-enal (CID 87836087) is (Z)-3-thiophen-2-ylbut-2-enal.
What is the SMILES notation for (Z)-3-thiophen-2-ylbut-2-enal?
The canonical SMILES for (Z)-3-thiophen-2-ylbut-2-enal is C/C(=C/C=O)c1cccs1.
What is the InChIKey of (Z)-3-thiophen-2-ylbut-2-enal?
The InChIKey is OJHKDVONDPDPFP-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H8OS/c1-7(4-5-9)8-3-2-6-10-8/h2-6H,1H3/b7-4-.
What are the key properties of (Z)-3-thiophen-2-ylbut-2-enal?
(Z)-3-thiophen-2-ylbut-2-enal has a molecular weight of 152.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-thiophen-2-ylbut-2-enal is sourced from PubChem (CID 87836087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).