2H-carbazole-3-carbaldehyde

C13H9NO — CID 174637127

IUPAC2H-carbazole-3-carbaldehyde
SMILESO=CC1=CC2=c3ccccc3=NC2=CC1
InChIInChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-4,6-8H,5H2
InChIKeyDRQKDEPMICUVKY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds1

About 2H-carbazole-3-carbaldehyde

2H-carbazole-3-carbaldehyde (PubChem CID 174637127) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name2H-carbazole-3-carbaldehyde
PubChem CID174637127
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2H-carbazole-3-carbaldehyde
SMILESO=CC1=CC2=c3ccccc3=NC2=CC1
InChIInChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-4,6-8H,5H2
InChIKeyDRQKDEPMICUVKY-UHFFFAOYSA-N
XLogP0.88
TPSA29.43 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 ≤ 50.88
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

CID 57311065
CID 57311065
2-(7H-indol-2-yl)acetaldehyde
CID 87427885
Cyclopenta[b]indole-1-carbaldehyde
CID 87969603
6,7-Dihydroquinoline-2-carbaldehyde
CID 89641705
4-methyl-6H-cyclopenta[b]pyridine-2-carbaldehyde
CID 121320866
3-methyl-6-oxo-7H-quinoline-2-carbaldehyde
CID 139986799
5H-indole-2-carbaldehyde
CID 141242887
2-(Oxomethylidene)indole-5-carbaldehyde
CID 150437991
2-(Oxomethylidene)indole-3-carbaldehyde
CID 153875511
2-(4-Oxoindol-2-yl)acetaldehyde
CID 172749920
4-Oxoindole-2-carbaldehyde
CID 173131151
1-methyl-4H-carbazole-4-carbaldehyde
CID 174255713

Frequently Asked Questions

What is the IUPAC name of 2H-carbazole-3-carbaldehyde?
The IUPAC name of 2H-carbazole-3-carbaldehyde (CID 174637127) is 2H-carbazole-3-carbaldehyde.
What is the SMILES notation for 2H-carbazole-3-carbaldehyde?
The canonical SMILES for 2H-carbazole-3-carbaldehyde is O=CC1=CC2=c3ccccc3=NC2=CC1.
What is the InChIKey of 2H-carbazole-3-carbaldehyde?
The InChIKey is DRQKDEPMICUVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)14-13/h1-4,6-8H,5H2.
What are the key properties of 2H-carbazole-3-carbaldehyde?
2H-carbazole-3-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-carbazole-3-carbaldehyde is sourced from PubChem (CID 174637127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).