6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one

C12H12N2O2 — CID 91080808

IUPAC6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one
SMILESCn1c(O)c2ccc3c(c2cc1=O)CCN3
InChIInChI=1S/C12H12N2O2/c1-14-11(15)6-9-7-4-5-13-10(7)3-2-8(9)12(14)16/h2-3,6,13,16H,4-5H2,1H3
InChIKeyQIMVKHCWFGGGEX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.21
Rot. Bonds

About 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one

6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one (PubChem CID 91080808) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one.

Molecular Properties

Compound Name6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one
PubChem CID91080808
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one
SMILESCn1c(O)c2ccc3c(c2cc1=O)CCN3
InChIInChI=1S/C12H12N2O2/c1-14-11(15)6-9-7-4-5-13-10(7)3-2-8(9)12(14)16/h2-3,6,13,16H,4-5H2,1H3
InChIKeyQIMVKHCWFGGGEX-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one?
The IUPAC name of 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one (CID 91080808) is 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one.
What is the SMILES notation for 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one?
The canonical SMILES for 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one is Cn1c(O)c2ccc3c(c2cc1=O)CCN3.
What is the InChIKey of 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one?
The InChIKey is QIMVKHCWFGGGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-11(15)6-9-7-4-5-13-10(7)3-2-8(9)12(14)16/h2-3,6,13,16H,4-5H2,1H3.
What are the key properties of 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one?
6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-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 6-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-8-one is sourced from PubChem (CID 91080808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).