pyrrolo[2,1-a]isoquinoline-3-carbaldehyde

C13H9NO — CID 19694938

IUPACpyrrolo[2,1-a]isoquinoline-3-carbaldehyde
SMILESO=Cc1ccc2c3ccccc3ccn12
InChIInChI=1S/C13H9NO/c15-9-11-5-6-13-12-4-2-1-3-10(12)7-8-14(11)13/h1-9H
InChIKeyRQYPRPAIQLNXBI-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.90
Rot. Bonds1

About pyrrolo[2,1-a]isoquinoline-3-carbaldehyde

pyrrolo[2,1-a]isoquinoline-3-carbaldehyde (PubChem CID 19694938) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is pyrrolo[2,1-a]isoquinoline-3-carbaldehyde.

Molecular Properties

Compound Namepyrrolo[2,1-a]isoquinoline-3-carbaldehyde
PubChem CID19694938
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Namepyrrolo[2,1-a]isoquinoline-3-carbaldehyde
SMILESO=Cc1ccc2c3ccccc3ccn12
InChIInChI=1S/C13H9NO/c15-9-11-5-6-13-12-4-2-1-3-10(12)7-8-14(11)13/h1-9H
InChIKeyRQYPRPAIQLNXBI-UHFFFAOYSA-N
XLogP2.90
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1H-indole-3-carbaldehyde
CID 87894
4-Quinolinecarboxaldehyde
CID 78072
1-(4-methylbenzyl)-1H-indole-3-carbaldehyde
CID 775565
1-benzyl-1H-indole-3-carbaldehyde
CID 262104
1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
CID 716281
1-methyl-1H-indole-5-carbaldehyde
CID 7537534
5-fluoro-1-methyl-1H-indole-3-carbaldehyde
CID 1382009
1-Isoquinolinyl phenyl ketone
CID 280081
2-(4-Fluorophenyl)-7-methyl-1,3-indolizinedicarboxaldehyde
CID 705660
1-(3-methylbenzyl)-1H-indole-3-carbaldehyde
CID 775600
1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
CID 775586
1-(4-fluorobenzyl)-1H-indole-3-carbaldehyde
CID 819946

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-a]isoquinoline-3-carbaldehyde?
The IUPAC name of pyrrolo[2,1-a]isoquinoline-3-carbaldehyde (CID 19694938) is pyrrolo[2,1-a]isoquinoline-3-carbaldehyde.
What is the SMILES notation for pyrrolo[2,1-a]isoquinoline-3-carbaldehyde?
The canonical SMILES for pyrrolo[2,1-a]isoquinoline-3-carbaldehyde is O=Cc1ccc2c3ccccc3ccn12.
What is the InChIKey of pyrrolo[2,1-a]isoquinoline-3-carbaldehyde?
The InChIKey is RQYPRPAIQLNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-9-11-5-6-13-12-4-2-1-3-10(12)7-8-14(11)13/h1-9H.
What are the key properties of pyrrolo[2,1-a]isoquinoline-3-carbaldehyde?
pyrrolo[2,1-a]isoquinoline-3-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-a]isoquinoline-3-carbaldehyde is sourced from PubChem (CID 19694938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).