4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one

C16H13NOS — CID 54763194

IUPAC4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccc(-c4cccs4)cc31)CCC2=O
InChIInChI=1S/C16H13NOS/c1-17-13-9-10(15-3-2-8-19-15)4-5-11(13)12-6-7-14(18)16(12)17/h2-5,8-9H,6-7H2,1H3
InChIKeyBHMRCWZFNVKJRK-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.04
Rot. Bonds1

About 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one

4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one (PubChem CID 54763194) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one.

Molecular Properties

Compound Name4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one
PubChem CID54763194
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccc(-c4cccs4)cc31)CCC2=O
InChIInChI=1S/C16H13NOS/c1-17-13-9-10(15-3-2-8-19-15)4-5-11(13)12-6-7-14(18)16(12)17/h2-5,8-9H,6-7H2,1H3
InChIKeyBHMRCWZFNVKJRK-UHFFFAOYSA-N
XLogP4.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one?
The IUPAC name of 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one (CID 54763194) is 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one.
What is the SMILES notation for 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one?
The canonical SMILES for 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one is Cn1c2c(c3ccc(-c4cccs4)cc31)CCC2=O.
What is the InChIKey of 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one?
The InChIKey is BHMRCWZFNVKJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-17-13-9-10(15-3-2-8-19-15)4-5-11(13)12-6-7-14(18)16(12)17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one?
4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one has a molecular weight of 267.35 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-thiophen-2-yl-1,2-dihydrocyclopenta[b]indol-3-one is sourced from PubChem (CID 54763194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).