[1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate

C13H15IO2S — CID 170084314

IUPAC[1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccc(I)s2)CCCC1
InChIInChI=1S/C13H15IO2S/c1-9(2)12(15)16-13(7-3-4-8-13)10-5-6-11(14)17-10/h5-6H,1,3-4,7-8H2,2H3
InChIKeyYHDVAVWPODIXEJ-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.24
Rot. Bonds3

About [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate

[1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate (PubChem CID 170084314) has the molecular formula C13H15IO2S and a molecular weight of 362.23 g/mol. Its IUPAC name is [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate
PubChem CID170084314
Molecular FormulaC13H15IO2S
Molecular Weight362.23 g/mol
Exact Mass361.98
IUPAC Name[1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(c2ccc(I)s2)CCCC1
InChIInChI=1S/C13H15IO2S/c1-9(2)12(15)16-13(7-3-4-8-13)10-5-6-11(14)17-10/h5-6H,1,3-4,7-8H2,2H3
InChIKeyYHDVAVWPODIXEJ-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-(4-hydroxyphenyl)cyclopentyl] 2-methylprop-2-enoate
CID 168800149
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
(2-methylidene-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 141174149
[3-(furan-2-yl)oxolan-3-yl] 2-methylprop-2-enoate
CID 138534197
(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
CID 22119740
(5-methylspiro[7,8,9,10-tetrahydrobenzo[8]annulene-6,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 58341765
(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
CID 89397792
[4-[3-(1-methylcyclopentyl)oxy-2,3-dioxopropoxy]phenyl] 2-methylprop-2-enoate
CID 118503797
(7-fluoro-1-thiophen-2-yl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475201
(2,3-dioxo-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 139917267
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323
[1-(1,1,3,3,3-pentafluoro-2-methyl-2-trimethylsilyloxypropyl)cyclohexyl] 2-methylprop-2-enoate
CID 58995526

Frequently Asked Questions

What is the IUPAC name of [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate (CID 170084314) is [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(c2ccc(I)s2)CCCC1.
What is the InChIKey of [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is YHDVAVWPODIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO2S/c1-9(2)12(15)16-13(7-3-4-8-13)10-5-6-11(14)17-10/h5-6H,1,3-4,7-8H2,2H3.
What are the key properties of [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate?
[1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 362.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-iodothiophen-2-yl)cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 170084314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).