5-thiophen-2-ylpent-2-enoic acid

C9H10O2S — CID 71424495

IUPAC5-thiophen-2-ylpent-2-enoic acid
SMILESO=C(O)C=CCCc1cccs1
InChIInChI=1S/C9H10O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h2-3,5-7H,1,4H2,(H,10,11)
InChIKeyWHNZVCYJWWASJC-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.32
Rot. Bonds4

About 5-thiophen-2-ylpent-2-enoic acid

5-thiophen-2-ylpent-2-enoic acid (PubChem CID 71424495) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-thiophen-2-ylpent-2-enoic acid.

Molecular Properties

Compound Name5-thiophen-2-ylpent-2-enoic acid
PubChem CID71424495
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name5-thiophen-2-ylpent-2-enoic acid
SMILESO=C(O)C=CCCc1cccs1
InChIInChI=1S/C9H10O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h2-3,5-7H,1,4H2,(H,10,11)
InChIKeyWHNZVCYJWWASJC-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
(E)-3-(1-thiophen-2-ylpropan-2-ylamino)prop-2-enoic acid
CID 103251846
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-3-[2-chloro-6-(2-thiophen-2-ylethoxy)phenyl]prop-2-enoic acid
CID 114321202
3-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]prop-2-enoic acid
CID 76975003
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-(8-phenyloct-4-enyl)thiophene
CID 70351967
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
3-methyl-4-(2-thiophen-2-ylethoxy)but-2-enoic acid
CID 76974991
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylpent-2-enoic acid?
The IUPAC name of 5-thiophen-2-ylpent-2-enoic acid (CID 71424495) is 5-thiophen-2-ylpent-2-enoic acid.
What is the SMILES notation for 5-thiophen-2-ylpent-2-enoic acid?
The canonical SMILES for 5-thiophen-2-ylpent-2-enoic acid is O=C(O)C=CCCc1cccs1.
What is the InChIKey of 5-thiophen-2-ylpent-2-enoic acid?
The InChIKey is WHNZVCYJWWASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h2-3,5-7H,1,4H2,(H,10,11).
What are the key properties of 5-thiophen-2-ylpent-2-enoic acid?
5-thiophen-2-ylpent-2-enoic acid has a molecular weight of 182.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylpent-2-enoic acid is sourced from PubChem (CID 71424495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).