(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone

C11H13ClOS — CID 130631626

IUPAC(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2ccsc2Cl)C1
InChIInChI=1S/C11H13ClOS/c1-7-2-3-8(6-7)10(13)9-4-5-14-11(9)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyAFNIPUURSSAZLK-UHFFFAOYSA-N
MW228.74 g/mol
LogP4.02
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone

(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone (PubChem CID 130631626) has the molecular formula C11H13ClOS and a molecular weight of 228.74 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
PubChem CID130631626
Molecular FormulaC11H13ClOS
Molecular Weight228.74 g/mol
Exact Mass228.04
IUPAC Name(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2ccsc2Cl)C1
InChIInChI=1S/C11H13ClOS/c1-7-2-3-8(6-7)10(13)9-4-5-14-11(9)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyAFNIPUURSSAZLK-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone (CID 130631626) is (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone is CC1CCC(C(=O)c2ccsc2Cl)C1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone?
The InChIKey is AFNIPUURSSAZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClOS/c1-7-2-3-8(6-7)10(13)9-4-5-14-11(9)12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone?
(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone has a molecular weight of 228.74 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone is sourced from PubChem (CID 130631626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).