3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one

C14H14OS — CID 79224748

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one
SMILESO=C1C=C(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C14H14OS/c15-12-6-5-10(7-12)8-13-9-11-3-1-2-4-14(11)16-13/h1-4,7,13H,5-6,8-9H2
InChIKeyWMGWDDNZJBOJON-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.38
Rot. Bonds2

About 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one (PubChem CID 79224748) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one
PubChem CID79224748
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one
SMILESO=C1C=C(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C14H14OS/c15-12-6-5-10(7-12)8-13-9-11-3-1-2-4-14(11)16-13/h1-4,7,13H,5-6,8-9H2
InChIKeyWMGWDDNZJBOJON-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 79224668
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
CID 79228612
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
CID 80582050
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
(2S)-2-[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-2,3-dihydro-1-benzothiophene
CID 11149916
4-(2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
CID 81009486
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79322659
2-[N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)anilino]acetic acid
CID 79228516
2-[carboxymethyl(2,3-dihydro-1-benzothiophen-2-ylmethyl)amino]acetic acid
CID 79227316

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one (CID 79224748) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one is O=C1C=C(CC2Cc3ccccc3S2)CC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one?
The InChIKey is WMGWDDNZJBOJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-12-6-5-10(7-12)8-13-9-11-3-1-2-4-14(11)16-13/h1-4,7,13H,5-6,8-9H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one has a molecular weight of 230.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 79224748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).