5-methylideneisoquinolin-1-one

C10H7NO — CID 76844803

IUPAC5-methylideneisoquinolin-1-one
SMILESC=c1cccc2c1=CC=NC2=O
InChIInChI=1S/C10H7NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-6H,1H2
InChIKeyPBGBGJOVUSVOJJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.10
Rot. Bonds

About 5-methylideneisoquinolin-1-one

5-methylideneisoquinolin-1-one (PubChem CID 76844803) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-methylideneisoquinolin-1-one.

Molecular Properties

Compound Name5-methylideneisoquinolin-1-one
PubChem CID76844803
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name5-methylideneisoquinolin-1-one
SMILESC=c1cccc2c1=CC=NC2=O
InChIInChI=1S/C10H7NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-6H,1H2
InChIKeyPBGBGJOVUSVOJJ-UHFFFAOYSA-N
XLogP0.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indenoisoquinolinone
CID 86637647
Cyclopenta[d]pyridon
CID 91450060
1,5-Dihydroisoquinolinone
CID 141331472
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
Pyrido[3,4-g]isoquinoline-1,6-dione
CID 68655731

Frequently Asked Questions

What is the IUPAC name of 5-methylideneisoquinolin-1-one?
The IUPAC name of 5-methylideneisoquinolin-1-one (CID 76844803) is 5-methylideneisoquinolin-1-one.
What is the SMILES notation for 5-methylideneisoquinolin-1-one?
The canonical SMILES for 5-methylideneisoquinolin-1-one is C=c1cccc2c1=CC=NC2=O.
What is the InChIKey of 5-methylideneisoquinolin-1-one?
The InChIKey is PBGBGJOVUSVOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-6H,1H2.
What are the key properties of 5-methylideneisoquinolin-1-one?
5-methylideneisoquinolin-1-one has a molecular weight of 157.17 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneisoquinolin-1-one is sourced from PubChem (CID 76844803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).