5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one

C12H12N2O2 — CID 90972402

IUPAC5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one
SMILESCn1c(O)c2cc3c(cc2cc1=O)NCC3
InChIInChI=1S/C12H12N2O2/c1-14-11(15)6-8-5-10-7(2-3-13-10)4-9(8)12(14)16/h4-6,13,16H,2-3H2,1H3
InChIKeyAICXFSDIHOCUQC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.21
Rot. Bonds

About 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one

5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one (PubChem CID 90972402) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one
PubChem CID90972402
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one
SMILESCn1c(O)c2cc3c(cc2cc1=O)NCC3
InChIInChI=1S/C12H12N2O2/c1-14-11(15)6-8-5-10-7(2-3-13-10)4-9(8)12(14)16/h4-6,13,16H,2-3H2,1H3
InChIKeyAICXFSDIHOCUQC-UHFFFAOYSA-N
XLogP1.21
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one
CID 71758441
1-Acetyl-1,2,3,5-tetrahydro-6H-pyrrolo[3,2-c]pyridin-6-one
CID 3645068
1-Hydroxy-2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-3-one
CID 90689493
1-Hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
CID 90746456
1-Hydroxy-2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-3-one
CID 90767934
1-Hydroxy-2-methyl-6-pyrrolidin-1-ylisoquinolin-3-one
CID 90850306
6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one
CID 91080808
6-(Cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91093639
7-Chloro-6-(cyclopropylmethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91150157
1-Hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91259601
1-hydroxy-6-pyrrolidin-1-yl-2H-isoquinolin-3-one
CID 91315293
7-Bromo-1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91370309

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one?
The IUPAC name of 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one (CID 90972402) is 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one.
What is the SMILES notation for 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one?
The canonical SMILES for 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one is Cn1c(O)c2cc3c(cc2cc1=O)NCC3.
What is the InChIKey of 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one?
The InChIKey is AICXFSDIHOCUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-11(15)6-8-5-10-7(2-3-13-10)4-9(8)12(14)16/h4-6,13,16H,2-3H2,1H3.
What are the key properties of 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one?
5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one has a molecular weight of 216.24 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one is sourced from PubChem (CID 90972402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).