5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one

C17H15NO2S — CID 43463235

IUPAC5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3cc4c(s3)CCC4)ccc21
InChIInChI=1S/C17H15NO2S/c1-18-13-6-5-11(7-12(13)9-16(18)19)17(20)15-8-10-3-2-4-14(10)21-15/h5-8H,2-4,9H2,1H3
InChIKeyUZIVUPNWZKDROM-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.99
Rot. Bonds2

About 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one

5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one (PubChem CID 43463235) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
PubChem CID43463235
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3cc4c(s3)CCC4)ccc21
InChIInChI=1S/C17H15NO2S/c1-18-13-6-5-11(7-12(13)9-16(18)19)17(20)15-8-10-3-2-4-14(10)21-15/h5-8H,2-4,9H2,1H3
InChIKeyUZIVUPNWZKDROM-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463390
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 43464497
(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463780
(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 43463341
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propoxyphenyl)methanone
CID 114971100

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one (CID 43463235) is 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)c3cc4c(s3)CCC4)ccc21.
What is the InChIKey of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one?
The InChIKey is UZIVUPNWZKDROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-18-13-6-5-11(7-12(13)9-16(18)19)17(20)15-8-10-3-2-4-14(10)21-15/h5-8H,2-4,9H2,1H3.
What are the key properties of 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one?
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one has a molecular weight of 297.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43463235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).