7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one

C11H8FNO — CID 51052054

IUPAC7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
SMILESO=C1CCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C11H8FNO/c12-6-1-3-9-8(5-6)7-2-4-10(14)11(7)13-9/h1,3,5,13H,2,4H2
InChIKeyXFKBIYMITXAJHA-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.44
Rot. Bonds

About 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one

7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one (PubChem CID 51052054) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one.

Molecular Properties

Compound Name7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
PubChem CID51052054
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one
SMILESO=C1CCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C11H8FNO/c12-6-1-3-9-8(5-6)7-2-4-10(14)11(7)13-9/h1,3,5,13H,2,4H2
InChIKeyXFKBIYMITXAJHA-UHFFFAOYSA-N
XLogP2.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
The IUPAC name of 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one (CID 51052054) is 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one.
What is the SMILES notation for 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
The canonical SMILES for 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one is O=C1CCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
The InChIKey is XFKBIYMITXAJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-6-1-3-9-8(5-6)7-2-4-10(14)11(7)13-9/h1,3,5,13H,2,4H2.
What are the key properties of 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one?
7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one has a molecular weight of 189.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,4-dihydro-1H-cyclopenta[b]indol-3-one is sourced from PubChem (CID 51052054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).