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

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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).