5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone

C19H16OS — CID 81429952

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C19H16OS/c1-12-9-10-13-5-2-3-7-15(13)18(12)19(20)17-11-14-6-4-8-16(14)21-17/h2-3,5,7,9-11H,4,6,8H2,1H3
InChIKeyWKHBWSPXCFXKNS-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.93
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone (PubChem CID 81429952) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone
PubChem CID81429952
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C19H16OS/c1-12-9-10-13-5-2-3-7-15(13)18(12)19(20)17-11-14-6-4-8-16(14)21-17/h2-3,5,7,9-11H,4,6,8H2,1H3
InChIKeyWKHBWSPXCFXKNS-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114972947
(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463390
isoquinolin-4-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 114971887
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376758
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 65299563
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626590
N'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979759

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone (CID 81429952) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is WKHBWSPXCFXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-12-9-10-13-5-2-3-7-15(13)18(12)19(20)17-11-14-6-4-8-16(14)21-17/h2-3,5,7,9-11H,4,6,8H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 292.40 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 81429952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).