5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one

C17H18N2OS — CID 43464497

IUPAC5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)c3cc4c(s3)CCC4)ccc21
InChIInChI=1S/C17H18N2OS/c1-19-13-6-5-11(7-12(13)9-16(19)20)17(18)15-8-10-3-2-4-14(10)21-15/h5-8,17H,2-4,9,18H2,1H3
InChIKeyYWQZBHNDVPUQAV-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.80
Rot. Bonds2

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

5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 43464497) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID43464497
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(N)c3cc4c(s3)CCC4)ccc21
InChIInChI=1S/C17H18N2OS/c1-19-13-6-5-11(7-12(13)9-16(19)20)17(18)15-8-10-3-2-4-14(10)21-15/h5-8,17H,2-4,9,18H2,1H3
InChIKeyYWQZBHNDVPUQAV-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one with MolForge

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Related Compounds

3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11566558
5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-4-methyl-thiophene-2-carbonitrile
CID 21986241
2,3-Dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 2576382
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 2971209
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-thiophen-2-ylethanone;hydrochloride
CID 6603214
N-methyl-1-(2-(thiophen-2-yl)acetyl)indoline-2-carboxamide
CID 18587982
(3R,4R)-4-(5-tert-butylthiophen-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 155540626
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 3579793
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-thiophen-2-ylethanone
CID 2999377
N-[1-(2,2-dimethylpropanoyl)-2,3-dihydro-1H-indol-6-yl]-2-(thiophen-2-yl)acetamide
CID 25851188
1-acetyl-N-[(5-methylthiophen-2-yl)methyl]-2,3-dihydroindole-5-carboxamide
CID 45828143
N-[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)methyl]thiophene-2-carboxamide
CID 53093519

Frequently Asked Questions

What is the IUPAC name of 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 43464497) is 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(N)c3cc4c(s3)CCC4)ccc21.
What is the InChIKey of 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is YWQZBHNDVPUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-19-13-6-5-11(7-12(13)9-16(19)20)17(18)15-8-10-3-2-4-14(10)21-15/h5-8,17H,2-4,9,18H2,1H3.
What are the key properties of 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 298.41 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43464497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).