benzo[f]indol-6-one

C12H7NO — CID 141100546

IUPACbenzo[f]indol-6-one
SMILESO=C1C=Cc2cc3c(cc2=C1)C=CN=3
InChIInChI=1S/C12H7NO/c14-11-2-1-8-7-12-9(3-4-13-12)5-10(8)6-11/h1-7H
InChIKeyJSIBPXBZIFVLPU-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.67
Rot. Bonds

About benzo[f]indol-6-one

benzo[f]indol-6-one (PubChem CID 141100546) has the molecular formula C12H7NO and a molecular weight of 181.19 g/mol. Its IUPAC name is benzo[f]indol-6-one.

Molecular Properties

Compound Namebenzo[f]indol-6-one
PubChem CID141100546
Molecular FormulaC12H7NO
Molecular Weight181.19 g/mol
Exact Mass181.05
IUPAC Namebenzo[f]indol-6-one
SMILESO=C1C=Cc2cc3c(cc2=C1)C=CN=3
InChIInChI=1S/C12H7NO/c14-11-2-1-8-7-12-9(3-4-13-12)5-10(8)6-11/h1-7H
InChIKeyJSIBPXBZIFVLPU-UHFFFAOYSA-N
XLogP0.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[f]indol-6-one?
The IUPAC name of benzo[f]indol-6-one (CID 141100546) is benzo[f]indol-6-one.
What is the SMILES notation for benzo[f]indol-6-one?
The canonical SMILES for benzo[f]indol-6-one is O=C1C=Cc2cc3c(cc2=C1)C=CN=3.
What is the InChIKey of benzo[f]indol-6-one?
The InChIKey is JSIBPXBZIFVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO/c14-11-2-1-8-7-12-9(3-4-13-12)5-10(8)6-11/h1-7H.
What are the key properties of benzo[f]indol-6-one?
benzo[f]indol-6-one has a molecular weight of 181.19 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]indol-6-one is sourced from PubChem (CID 141100546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).