5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde

C16H15NOS — CID 122399598

IUPAC5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2c3ccccc3C3CCCC32)s1
InChIInChI=1S/C16H15NOS/c18-10-11-8-9-16(19-11)17-14-6-2-1-4-12(14)13-5-3-7-15(13)17/h1-2,4,6,8-10,13,15H,3,5,7H2
InChIKeyFLTXLXSWUHZXDT-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.35
Rot. Bonds2

About 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde

5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde (PubChem CID 122399598) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde
PubChem CID122399598
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2c3ccccc3C3CCCC32)s1
InChIInChI=1S/C16H15NOS/c18-10-11-8-9-16(19-11)17-14-6-2-1-4-12(14)13-5-3-7-15(13)17/h1-2,4,6,8-10,13,15H,3,5,7H2
InChIKeyFLTXLXSWUHZXDT-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde (CID 122399598) is 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde is O=Cc1ccc(N2c3ccccc3C3CCCC32)s1.
What is the InChIKey of 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde?
The InChIKey is FLTXLXSWUHZXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c18-10-11-8-9-16(19-11)17-14-6-2-1-4-12(14)13-5-3-7-15(13)17/h1-2,4,6,8-10,13,15H,3,5,7H2.
What are the key properties of 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde?
5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde has a molecular weight of 269.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 122399598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).