2-cyclopentylidene-2-thiophen-3-ylacetic acid

C11H12O2S — CID 122373959

IUPAC2-cyclopentylidene-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(=C1CCCC1)c1ccsc1
InChIInChI=1S/C11H12O2S/c12-11(13)10(8-3-1-2-4-8)9-5-6-14-7-9/h5-7H,1-4H2,(H,12,13)
InChIKeyHUMUMZXLEZHJTC-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.16
Rot. Bonds2

About 2-cyclopentylidene-2-thiophen-3-ylacetic acid

2-cyclopentylidene-2-thiophen-3-ylacetic acid (PubChem CID 122373959) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-cyclopentylidene-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-cyclopentylidene-2-thiophen-3-ylacetic acid
PubChem CID122373959
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name2-cyclopentylidene-2-thiophen-3-ylacetic acid
SMILESO=C(O)C(=C1CCCC1)c1ccsc1
InChIInChI=1S/C11H12O2S/c12-11(13)10(8-3-1-2-4-8)9-5-6-14-7-9/h5-7H,1-4H2,(H,12,13)
InChIKeyHUMUMZXLEZHJTC-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopentylidene-2-thiophen-3-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride
CID 21482221
2-cyclohexylidene-2-(4-methylphenyl)acetic acid
CID 122373960
cyclohexen-1-yl(thiophen-3-yl)methanone
CID 62079928
(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 123320476
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
2-cyclopropyl-1-thiophen-3-ylpropan-1-one
CID 114975207
2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid
CID 6611424
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
(1-phenylcyclohexyl)-thiophen-3-ylmethanone
CID 65099357
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-cyclopentylidene-2-thiophen-3-ylacetic acid (CID 122373959) is 2-cyclopentylidene-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-cyclopentylidene-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-cyclopentylidene-2-thiophen-3-ylacetic acid is O=C(O)C(=C1CCCC1)c1ccsc1.
What is the InChIKey of 2-cyclopentylidene-2-thiophen-3-ylacetic acid?
The InChIKey is HUMUMZXLEZHJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c12-11(13)10(8-3-1-2-4-8)9-5-6-14-7-9/h5-7H,1-4H2,(H,12,13).
What are the key properties of 2-cyclopentylidene-2-thiophen-3-ylacetic acid?
2-cyclopentylidene-2-thiophen-3-ylacetic acid has a molecular weight of 208.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 122373959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).