5-(5-chlorothiophen-2-yl)pentan-2-one

C9H11ClOS — CID 64522683

IUPAC5-(5-chlorothiophen-2-yl)pentan-2-one
SMILESCC(=O)CCCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClOS/c1-7(11)3-2-4-8-5-6-9(10)12-8/h5-6H,2-4H2,1H3
InChIKeyJVOUKWQXKHBTCH-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.31
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)pentan-2-one

5-(5-chlorothiophen-2-yl)pentan-2-one (PubChem CID 64522683) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)pentan-2-one
PubChem CID64522683
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name5-(5-chlorothiophen-2-yl)pentan-2-one
SMILESCC(=O)CCCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClOS/c1-7(11)3-2-4-8-5-6-9(10)12-8/h5-6H,2-4H2,1H3
InChIKeyJVOUKWQXKHBTCH-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
9-(5-chlorothiophen-2-yl)nonanoate
CID 7038793
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
CID 112518605
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
methyl (E)-4-[2-(5-chlorothiophen-2-yl)ethylamino]-2-methylbut-2-enoate
CID 106036866
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)pentan-2-one?
The IUPAC name of 5-(5-chlorothiophen-2-yl)pentan-2-one (CID 64522683) is 5-(5-chlorothiophen-2-yl)pentan-2-one.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)pentan-2-one?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)pentan-2-one is CC(=O)CCCc1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)pentan-2-one?
The InChIKey is JVOUKWQXKHBTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS/c1-7(11)3-2-4-8-5-6-9(10)12-8/h5-6H,2-4H2,1H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)pentan-2-one?
5-(5-chlorothiophen-2-yl)pentan-2-one has a molecular weight of 202.71 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)pentan-2-one is sourced from PubChem (CID 64522683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).