9H-carbazole-1-carbaldehyde

C13H9NO — CID 11745551

IUPAC9H-carbazole-1-carbaldehyde
SMILESO=Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H9NO/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H
InChIKeyVMHCBSGWJYTOML-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.13
Rot. Bonds1

About 9H-carbazole-1-carbaldehyde

9H-carbazole-1-carbaldehyde (PubChem CID 11745551) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 9H-carbazole-1-carbaldehyde.

Molecular Properties

Compound Name9H-carbazole-1-carbaldehyde
PubChem CID11745551
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name9H-carbazole-1-carbaldehyde
SMILESO=Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H9NO/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H
InChIKeyVMHCBSGWJYTOML-UHFFFAOYSA-N
XLogP3.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-1-carbaldehyde?
The IUPAC name of 9H-carbazole-1-carbaldehyde (CID 11745551) is 9H-carbazole-1-carbaldehyde.
What is the SMILES notation for 9H-carbazole-1-carbaldehyde?
The canonical SMILES for 9H-carbazole-1-carbaldehyde is O=Cc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole-1-carbaldehyde?
The InChIKey is VMHCBSGWJYTOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-8-9-4-3-6-11-10-5-1-2-7-12(10)14-13(9)11/h1-8,14H.
What are the key properties of 9H-carbazole-1-carbaldehyde?
9H-carbazole-1-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-1-carbaldehyde is sourced from PubChem (CID 11745551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).