5-(oxomethylidene)isoquinolin-1-one

C10H5NO2 — CID 74819600

IUPAC5-(oxomethylidene)isoquinolin-1-one
SMILESO=C=c1cccc2c1=CC=NC2=O
InChIInChI=1S/C10H5NO2/c12-6-7-2-1-3-9-8(7)4-5-11-10(9)13/h1-5H
InChIKeyVZBPEYBFEUOTTH-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.81
Rot. Bonds

About 5-(oxomethylidene)isoquinolin-1-one

5-(oxomethylidene)isoquinolin-1-one (PubChem CID 74819600) has the molecular formula C10H5NO2 and a molecular weight of 171.15 g/mol. Its IUPAC name is 5-(oxomethylidene)isoquinolin-1-one.

Molecular Properties

Compound Name5-(oxomethylidene)isoquinolin-1-one
PubChem CID74819600
Molecular FormulaC10H5NO2
Molecular Weight171.15 g/mol
Exact Mass171.03
IUPAC Name5-(oxomethylidene)isoquinolin-1-one
SMILESO=C=c1cccc2c1=CC=NC2=O
InChIInChI=1S/C10H5NO2/c12-6-7-2-1-3-9-8(7)4-5-11-10(9)13/h1-5H
InChIKeyVZBPEYBFEUOTTH-UHFFFAOYSA-N
XLogP-0.81
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopenta[d]pyridon
CID 91450060
1,5-Dihydroisoquinolinone
CID 141331472
Pyrrolo[3,4-d]quinoline-3,5-dione
CID 129706704
Cyclohepta[c]pyridin-1-one
CID 132279945
5-fluoro-5H-isoquinolin-1-one
CID 71303754
6,7-Difluoro-7h-isoquinolin-1-one
CID 72212541
7-(trifluoromethyl)-7H-isoquinolin-1-one
CID 178185920
Isoquinoline-1,5-dione
CID 21836090
isoquinolin-5(1 H)-one
CID 22598424
Isoquinolin-1(7H)-one
CID 45079456
Isoquinoline-1,7-dione
CID 53635185
Pyrano[3,4-c]pyridin-8-one
CID 54268729

Frequently Asked Questions

What is the IUPAC name of 5-(oxomethylidene)isoquinolin-1-one?
The IUPAC name of 5-(oxomethylidene)isoquinolin-1-one (CID 74819600) is 5-(oxomethylidene)isoquinolin-1-one.
What is the SMILES notation for 5-(oxomethylidene)isoquinolin-1-one?
The canonical SMILES for 5-(oxomethylidene)isoquinolin-1-one is O=C=c1cccc2c1=CC=NC2=O.
What is the InChIKey of 5-(oxomethylidene)isoquinolin-1-one?
The InChIKey is VZBPEYBFEUOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2/c12-6-7-2-1-3-9-8(7)4-5-11-10(9)13/h1-5H.
What are the key properties of 5-(oxomethylidene)isoquinolin-1-one?
5-(oxomethylidene)isoquinolin-1-one has a molecular weight of 171.15 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxomethylidene)isoquinolin-1-one is sourced from PubChem (CID 74819600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).