pyrrolo[2,3-h]isoquinolin-1-one

C11H6N2O — CID 69399635

IUPACpyrrolo[2,3-h]isoquinolin-1-one
SMILESO=C1N=CC=c2ccc3c(c21)C=CN=3
InChIInChI=1S/C11H6N2O/c14-11-10-7(3-5-13-11)1-2-9-8(10)4-6-12-9/h1-6H
InChIKeyRUEMXIAJPHXWBR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.30
Rot. Bonds

About pyrrolo[2,3-h]isoquinolin-1-one

pyrrolo[2,3-h]isoquinolin-1-one (PubChem CID 69399635) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is pyrrolo[2,3-h]isoquinolin-1-one.

Molecular Properties

Compound Namepyrrolo[2,3-h]isoquinolin-1-one
PubChem CID69399635
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Namepyrrolo[2,3-h]isoquinolin-1-one
SMILESO=C1N=CC=c2ccc3c(c21)C=CN=3
InChIInChI=1S/C11H6N2O/c14-11-10-7(3-5-13-11)1-2-9-8(10)4-6-12-9/h1-6H
InChIKeyRUEMXIAJPHXWBR-UHFFFAOYSA-N
XLogP0.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-h]isoquinolin-1-one?
The IUPAC name of pyrrolo[2,3-h]isoquinolin-1-one (CID 69399635) is pyrrolo[2,3-h]isoquinolin-1-one.
What is the SMILES notation for pyrrolo[2,3-h]isoquinolin-1-one?
The canonical SMILES for pyrrolo[2,3-h]isoquinolin-1-one is O=C1N=CC=c2ccc3c(c21)C=CN=3.
What is the InChIKey of pyrrolo[2,3-h]isoquinolin-1-one?
The InChIKey is RUEMXIAJPHXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c14-11-10-7(3-5-13-11)1-2-9-8(10)4-6-12-9/h1-6H.
What are the key properties of pyrrolo[2,3-h]isoquinolin-1-one?
pyrrolo[2,3-h]isoquinolin-1-one has a molecular weight of 182.18 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-h]isoquinolin-1-one is sourced from PubChem (CID 69399635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).