9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one

C14H14FNO — CID 842771

IUPAC9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(F)ccc31)CCCC2=O
InChIInChI=1S/C14H14FNO/c1-2-16-12-7-6-9(15)8-11(12)10-4-3-5-13(17)14(10)16/h6-8H,2-5H2,1H3
InChIKeyGZRRAGBGTOHJGW-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.32
Rot. Bonds1

About 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one

9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one (PubChem CID 842771) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one
PubChem CID842771
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(F)ccc31)CCCC2=O
InChIInChI=1S/C14H14FNO/c1-2-16-12-7-6-9(15)8-11(12)10-4-3-5-13(17)14(10)16/h6-8H,2-5H2,1H3
InChIKeyGZRRAGBGTOHJGW-UHFFFAOYSA-N
XLogP3.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one (CID 842771) is 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one is CCn1c2c(c3cc(F)ccc31)CCCC2=O.
What is the InChIKey of 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is GZRRAGBGTOHJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-2-16-12-7-6-9(15)8-11(12)10-4-3-5-13(17)14(10)16/h6-8H,2-5H2,1H3.
What are the key properties of 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one?
9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 231.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-fluoro-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 842771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).