2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone

C11H13ClOS — CID 131564842

IUPAC2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
SMILESO=C(CCl)C1(c2cccs2)CCCC1
InChIInChI=1S/C11H13ClOS/c12-8-9(13)11(5-1-2-6-11)10-4-3-7-14-10/h3-4,7H,1-2,5-6,8H2
InChIKeyKVIRIWPUWLBBBX-UHFFFAOYSA-N
MW228.74 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone

2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone (PubChem CID 131564842) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
PubChem CID131564842
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
SMILESO=C(CCl)C1(c2cccs2)CCCC1
InChIInChI=1S/C11H13ClOS/c12-8-9(13)11(5-1-2-6-11)10-4-3-7-14-10/h3-4,7H,1-2,5-6,8H2
InChIKeyKVIRIWPUWLBBBX-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Thiophen-2-ylpentan-3-one
CID 12413254
3-Thiophen-2-ylcyclopentan-1-one
CID 14554038
1-Chloro-3-(thiophen-2-yl)propan-2-one
CID 16100206
2-Thiophen-2-ylcyclopentan-1-one
CID 18977066
3,3-Dimethyl-4-thiophen-2-ylbutan-2-one
CID 69922527
3-Methyl-2-thienyl 8-chlorooctyl ketone
CID 129791206
(4S)-4-methyl-4-thiophen-2-ylhexan-2-one
CID 134957090
1-Chloro-1-(4-fluorophenyl)-5-thiophen-2-ylpentan-2-one
CID 81243104
(5R)-4-thiophen-2-ylspiro[4.4]non-3-en-9-one
CID 15438006
6-Chloro-1-thiophen-3-ylhexan-3-one
CID 66043946
4-Chloro-3,3-dimethyl-4-thiophen-2-ylbutan-2-one
CID 12215802
4-Methyl-4-thiophen-2-ylpentan-2-one
CID 12477267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone?
The IUPAC name of 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone (CID 131564842) is 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone?
The canonical SMILES for 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone is O=C(CCl)C1(c2cccs2)CCCC1.
What is the InChIKey of 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone?
The InChIKey is KVIRIWPUWLBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c12-8-9(13)11(5-1-2-6-11)10-4-3-7-14-10/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone?
2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone has a molecular weight of 228.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone is sourced from PubChem (CID 131564842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).