(3-chlorothiophen-2-yl)-cyclopentylmethanone

C10H11ClOS — CID 80530065

IUPAC(3-chlorothiophen-2-yl)-cyclopentylmethanone
SMILESO=C(c1sccc1Cl)C1CCCC1
InChIInChI=1S/C10H11ClOS/c11-8-5-6-13-10(8)9(12)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyQHVAZVCJSVGVEC-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.77
Rot. Bonds2

About (3-chlorothiophen-2-yl)-cyclopentylmethanone

(3-chlorothiophen-2-yl)-cyclopentylmethanone (PubChem CID 80530065) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-cyclopentylmethanone
PubChem CID80530065
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name(3-chlorothiophen-2-yl)-cyclopentylmethanone
SMILESO=C(c1sccc1Cl)C1CCCC1
InChIInChI=1S/C10H11ClOS/c11-8-5-6-13-10(8)9(12)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyQHVAZVCJSVGVEC-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-cyclopentylmethanone?
The IUPAC name of (3-chlorothiophen-2-yl)-cyclopentylmethanone (CID 80530065) is (3-chlorothiophen-2-yl)-cyclopentylmethanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-cyclopentylmethanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-cyclopentylmethanone is O=C(c1sccc1Cl)C1CCCC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-cyclopentylmethanone?
The InChIKey is QHVAZVCJSVGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c11-8-5-6-13-10(8)9(12)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of (3-chlorothiophen-2-yl)-cyclopentylmethanone?
(3-chlorothiophen-2-yl)-cyclopentylmethanone has a molecular weight of 214.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-cyclopentylmethanone is sourced from PubChem (CID 80530065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).