5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde

C12H8N2O2 — CID 176560287

IUPAC5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde
SMILESO=Cc1cc2[nH]c(=O)c3ccccc3c2[nH]1
InChIInChI=1S/C12H8N2O2/c15-6-7-5-10-11(13-7)8-3-1-2-4-9(8)12(16)14-10/h1-6,13H,(H,14,16)
InChIKeyLGQUANDRFRVWNW-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.82
Rot. Bonds1

About 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde

5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde (PubChem CID 176560287) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde
PubChem CID176560287
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde
SMILESO=Cc1cc2[nH]c(=O)c3ccccc3c2[nH]1
InChIInChI=1S/C12H8N2O2/c15-6-7-5-10-11(13-7)8-3-1-2-4-9(8)12(16)14-10/h1-6,13H,(H,14,16)
InChIKeyLGQUANDRFRVWNW-UHFFFAOYSA-N
XLogP1.82
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde?
The IUPAC name of 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde (CID 176560287) is 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde.
What is the SMILES notation for 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde?
The canonical SMILES for 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde is O=Cc1cc2[nH]c(=O)c3ccccc3c2[nH]1.
What is the InChIKey of 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde?
The InChIKey is LGQUANDRFRVWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-6-7-5-10-11(13-7)8-3-1-2-4-9(8)12(16)14-10/h1-6,13H,(H,14,16).
What are the key properties of 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde?
5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,4-dihydropyrrolo[3,2-c]isoquinoline-2-carbaldehyde is sourced from PubChem (CID 176560287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).