pyrrolo[3,4-c]isoquinoline-1,3-dione

C11H6N2O2 — CID 165077456

IUPACpyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c1ncc1ccccc21
InChIInChI=1S/C11H6N2O2/c14-10-8-7-4-2-1-3-6(7)5-12-9(8)11(15)13-10/h1-5H,(H,13,14,15)
InChIKeyUNZQBOHRFJQWAE-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.12
Rot. Bonds

About pyrrolo[3,4-c]isoquinoline-1,3-dione

pyrrolo[3,4-c]isoquinoline-1,3-dione (PubChem CID 165077456) has the molecular formula C11H6N2O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is pyrrolo[3,4-c]isoquinoline-1,3-dione.

Molecular Properties

Compound Namepyrrolo[3,4-c]isoquinoline-1,3-dione
PubChem CID165077456
Molecular FormulaC11H6N2O2
Molecular Weight198.18 g/mol
Exact Mass198.04
IUPAC Namepyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESO=C1NC(=O)c2c1ncc1ccccc21
InChIInChI=1S/C11H6N2O2/c14-10-8-7-4-2-1-3-6(7)5-12-9(8)11(15)13-10/h1-5H,(H,13,14,15)
InChIKeyUNZQBOHRFJQWAE-UHFFFAOYSA-N
XLogP1.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
CID 170859547
naphtho[2,1-e]isoindole-1,3-dione
CID 87830454
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione
CID 70302799
4H-benzo[f][1,8]naphthyridin-3-one
CID 54567085
9,13-diphenylphenanthro[9,10-f]isoindole-10,12-dione
CID 134982818
4-phenylisoquinoline-3-carboxylic acid
CID 54415243
4-bromo-3-phenylisoquinoline
CID 152778536
4-phenylisoquinolin-3-amine
CID 21162095
4-(3-bromopropyl)benzo[e]isoindole-1,3-dione
CID 67876975
phenanthridine
CID 9189
(1,3-dioxobenzo[e]isoindol-4-yl) methanesulfonate
CID 87189525

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-c]isoquinoline-1,3-dione?
The IUPAC name of pyrrolo[3,4-c]isoquinoline-1,3-dione (CID 165077456) is pyrrolo[3,4-c]isoquinoline-1,3-dione.
What is the SMILES notation for pyrrolo[3,4-c]isoquinoline-1,3-dione?
The canonical SMILES for pyrrolo[3,4-c]isoquinoline-1,3-dione is O=C1NC(=O)c2c1ncc1ccccc21.
What is the InChIKey of pyrrolo[3,4-c]isoquinoline-1,3-dione?
The InChIKey is UNZQBOHRFJQWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O2/c14-10-8-7-4-2-1-3-6(7)5-12-9(8)11(15)13-10/h1-5H,(H,13,14,15).
What are the key properties of pyrrolo[3,4-c]isoquinoline-1,3-dione?
pyrrolo[3,4-c]isoquinoline-1,3-dione has a molecular weight of 198.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-c]isoquinoline-1,3-dione is sourced from PubChem (CID 165077456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).