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

C14H14ClNO — CID 684323

IUPAC6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(Cl)ccc31)CCCC2=O
InChIInChI=1S/C14H14ClNO/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
InChIKeyTURUTOUZTIIYOD-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.83
Rot. Bonds1

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

6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 684323) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID684323
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3cc(Cl)ccc31)CCCC2=O
InChIInChI=1S/C14H14ClNO/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
InChIKeyTURUTOUZTIIYOD-UHFFFAOYSA-N
XLogP3.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.83
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 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one (CID 684323) is 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one is CCn1c2c(c3cc(Cl)ccc31)CCCC2=O.
What is the InChIKey of 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is TURUTOUZTIIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/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 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one?
6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 247.72 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 684323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).