9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one

C16H15NOS — CID 71026459

IUPAC9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one
SMILESCCN1c2cc3c(cc2C2C=CC=CC21)SCC3=O
InChIInChI=1S/C16H15NOS/c1-2-17-13-6-4-3-5-10(13)11-8-16-12(7-14(11)17)15(18)9-19-16/h3-8,10,13H,2,9H2,1H3
InChIKeyASRYSIFXANOWQU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.39
Rot. Bonds1

About 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one

9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one (PubChem CID 71026459) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one.

Molecular Properties

Compound Name9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one
PubChem CID71026459
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one
SMILESCCN1c2cc3c(cc2C2C=CC=CC21)SCC3=O
InChIInChI=1S/C16H15NOS/c1-2-17-13-6-4-3-5-10(13)11-8-16-12(7-14(11)17)15(18)9-19-16/h3-8,10,13H,2,9H2,1H3
InChIKeyASRYSIFXANOWQU-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one?
The IUPAC name of 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one (CID 71026459) is 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one.
What is the SMILES notation for 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one?
The canonical SMILES for 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one is CCN1c2cc3c(cc2C2C=CC=CC21)SCC3=O.
What is the InChIKey of 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one?
The InChIKey is ASRYSIFXANOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-2-17-13-6-4-3-5-10(13)11-8-16-12(7-14(11)17)15(18)9-19-16/h3-8,10,13H,2,9H2,1H3.
What are the key properties of 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one?
9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one has a molecular weight of 269.37 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4b,8a-dihydrothieno[3,2-b]carbazol-1-one is sourced from PubChem (CID 71026459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).