4H-carbazole-4-carbaldehyde

C13H9NO — CID 174296200

IUPAC4H-carbazole-4-carbaldehyde
SMILESO=CC1C=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H9NO/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-9H
InChIKeyAWNNKFZPJSRRMS-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.74
Rot. Bonds1

About 4H-carbazole-4-carbaldehyde

4H-carbazole-4-carbaldehyde (PubChem CID 174296200) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 4H-carbazole-4-carbaldehyde.

Molecular Properties

Compound Name4H-carbazole-4-carbaldehyde
PubChem CID174296200
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name4H-carbazole-4-carbaldehyde
SMILESO=CC1C=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H9NO/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-9H
InChIKeyAWNNKFZPJSRRMS-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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

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
1-methyl-4H-carbazole-4-carbaldehyde
CID 174255713
4H-carbazole-4-carbaldehyde;hydrochloride
CID 174344799
3,4-dihydro-2H-carbazole-4-carbaldehyde
CID 174440689
2H-carbazole-3-carbaldehyde
CID 174637127
hydron;4H-indole-4-carbaldehyde
CID 174960023
6-Methyl-6,7-dihydroquinoline-2-carbaldehyde
CID 143910932
2-methyl-4H-benzimidazole-4-carbaldehyde
CID 174247241
4H-indole-4-carbaldehyde
CID 174960024

Frequently Asked Questions

What is the IUPAC name of 4H-carbazole-4-carbaldehyde?
The IUPAC name of 4H-carbazole-4-carbaldehyde (CID 174296200) is 4H-carbazole-4-carbaldehyde.
What is the SMILES notation for 4H-carbazole-4-carbaldehyde?
The canonical SMILES for 4H-carbazole-4-carbaldehyde is O=CC1C=CC=C2N=c3ccccc3=C21.
What is the InChIKey of 4H-carbazole-4-carbaldehyde?
The InChIKey is AWNNKFZPJSRRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-9H.
What are the key properties of 4H-carbazole-4-carbaldehyde?
4H-carbazole-4-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-carbazole-4-carbaldehyde is sourced from PubChem (CID 174296200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).