3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene

C11H13ClS — CID 65176592

IUPAC3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
SMILESClC1C=C(CCc2ccsc2)CC1
InChIInChI=1S/C11H13ClS/c12-11-4-3-9(7-11)1-2-10-5-6-13-8-10/h5-8,11H,1-4H2
InChIKeyJIOFJMWFJLRQIZ-UHFFFAOYSA-N
MW212.75 g/mol
LogP4.01
Rot. Bonds3

About 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene

3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene (PubChem CID 65176592) has the molecular formula C11H13ClS and a molecular weight of 212.75 g/mol. Its IUPAC name is 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
PubChem CID65176592
Molecular FormulaC11H13ClS
Molecular Weight212.75 g/mol
Exact Mass212.04
IUPAC Name3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene
SMILESClC1C=C(CCc2ccsc2)CC1
InChIInChI=1S/C11H13ClS/c12-11-4-3-9(7-11)1-2-10-5-6-13-8-10/h5-8,11H,1-4H2
InChIKeyJIOFJMWFJLRQIZ-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyclopropylethyl)thiophene
CID 159324839
5,5-dimethyl-3-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 65177525
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
(3-chlorocyclopenten-1-yl)methylbenzene
CID 65176706
3-chloro-1-(methoxymethyl)cyclopentene
CID 79576989
4-chloro-1-(2-thiophen-3-ylethyl)azepane
CID 130637760
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504109
azane;3-propylthiophene
CID 174446539
2-(2-thiophen-3-ylethyl)-1,3-dioxolane
CID 71386496
3-(2-thiophen-3-ylethyl)azetidine
CID 79451396
3-chloro-8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 63764692

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene?
The IUPAC name of 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene (CID 65176592) is 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene.
What is the SMILES notation for 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene?
The canonical SMILES for 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene is ClC1C=C(CCc2ccsc2)CC1.
What is the InChIKey of 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene?
The InChIKey is JIOFJMWFJLRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClS/c12-11-4-3-9(7-11)1-2-10-5-6-13-8-10/h5-8,11H,1-4H2.
What are the key properties of 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene?
3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene has a molecular weight of 212.75 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorocyclopenten-1-yl)ethyl]thiophene is sourced from PubChem (CID 65176592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).