1-cyclopentyl-5-thiophen-2-ylpentan-2-one

C14H20OS — CID 105092183

IUPAC1-cyclopentyl-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)CC1CCCC1
InChIInChI=1S/C14H20OS/c15-13(11-12-5-1-2-6-12)7-3-8-14-9-4-10-16-14/h4,9-10,12H,1-3,5-8,11H2
InChIKeyLOUQUVRIWRDFGX-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.22
Rot. Bonds6

About 1-cyclopentyl-5-thiophen-2-ylpentan-2-one

1-cyclopentyl-5-thiophen-2-ylpentan-2-one (PubChem CID 105092183) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-cyclopentyl-5-thiophen-2-ylpentan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-thiophen-2-ylpentan-2-one
PubChem CID105092183
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name1-cyclopentyl-5-thiophen-2-ylpentan-2-one
SMILESO=C(CCCc1cccs1)CC1CCCC1
InChIInChI=1S/C14H20OS/c15-13(11-12-5-1-2-6-12)7-3-8-14-9-4-10-16-14/h4,9-10,12H,1-3,5-8,11H2
InChIKeyLOUQUVRIWRDFGX-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
2-(4-cyclohexylbutyl)thiophene
CID 142713613
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703
1-(cyclopentylamino)-4-thiophen-2-ylbutan-2-one
CID 116559062
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
CID 105104895
1-(3-ethoxycyclobutyl)-4-thiophen-2-ylbutan-2-one
CID 103167854
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
oxan-2-ylmethyl 4-thiophen-2-ylbutanoate
CID 78790137

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-thiophen-2-ylpentan-2-one?
The IUPAC name of 1-cyclopentyl-5-thiophen-2-ylpentan-2-one (CID 105092183) is 1-cyclopentyl-5-thiophen-2-ylpentan-2-one.
What is the SMILES notation for 1-cyclopentyl-5-thiophen-2-ylpentan-2-one?
The canonical SMILES for 1-cyclopentyl-5-thiophen-2-ylpentan-2-one is O=C(CCCc1cccs1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-thiophen-2-ylpentan-2-one?
The InChIKey is LOUQUVRIWRDFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c15-13(11-12-5-1-2-6-12)7-3-8-14-9-4-10-16-14/h4,9-10,12H,1-3,5-8,11H2.
What are the key properties of 1-cyclopentyl-5-thiophen-2-ylpentan-2-one?
1-cyclopentyl-5-thiophen-2-ylpentan-2-one has a molecular weight of 236.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-thiophen-2-ylpentan-2-one is sourced from PubChem (CID 105092183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).