10aH-benzo[f]isoquinolin-4-one

C13H9NO — CID 71650484

IUPAC10aH-benzo[f]isoquinolin-4-one
SMILESO=C1N=CC=C2C1=CC=C1C=CC=CC12
InChIInChI=1S/C13H9NO/c15-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-14-13/h1-8,10H
InChIKeyITBKHXAVAXMPPB-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.13
Rot. Bonds

About 10aH-benzo[f]isoquinolin-4-one

10aH-benzo[f]isoquinolin-4-one (PubChem CID 71650484) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 10aH-benzo[f]isoquinolin-4-one.

Molecular Properties

Compound Name10aH-benzo[f]isoquinolin-4-one
PubChem CID71650484
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name10aH-benzo[f]isoquinolin-4-one
SMILESO=C1N=CC=C2C1=CC=C1C=CC=CC12
InChIInChI=1S/C13H9NO/c15-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-14-13/h1-8,10H
InChIKeyITBKHXAVAXMPPB-UHFFFAOYSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Dihydroisoquinolinone
CID 141331472
Azatricyclo[7.3.1.02,7]trideca-trienone
CID 129868505
5-fluoro-5H-isoquinolin-1-one
CID 71303754
3-Cyclohex-3-en-1-ylpyrrol-2-one
CID 67765123
6-methyl-5H-isoquinolin-1-one
CID 91415570
5-methyl-5H-isoquinolin-1-one
CID 91571244
ethane;5-iodo-6-methyl-5H-isoquinolin-1-one
CID 123370277
3,4,5a,10a-Tetrahydrobenzo[b][1,6]naphthyridine-10-carboxamide
CID 123849895
Indeno[5,4-f]isoquinolin-6-one
CID 175022970
Benzo[f]isoquinoline-4,9-dione
CID 177709939
4a,9-Dihydro-3,8-phenanthroline-2,5-dione
CID 23137795
1-oxo-5H-isoquinoline-5-carbonitrile
CID 74819596

Frequently Asked Questions

What is the IUPAC name of 10aH-benzo[f]isoquinolin-4-one?
The IUPAC name of 10aH-benzo[f]isoquinolin-4-one (CID 71650484) is 10aH-benzo[f]isoquinolin-4-one.
What is the SMILES notation for 10aH-benzo[f]isoquinolin-4-one?
The canonical SMILES for 10aH-benzo[f]isoquinolin-4-one is O=C1N=CC=C2C1=CC=C1C=CC=CC12.
What is the InChIKey of 10aH-benzo[f]isoquinolin-4-one?
The InChIKey is ITBKHXAVAXMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-14-13/h1-8,10H.
What are the key properties of 10aH-benzo[f]isoquinolin-4-one?
10aH-benzo[f]isoquinolin-4-one has a molecular weight of 195.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-benzo[f]isoquinolin-4-one is sourced from PubChem (CID 71650484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).