3,4-dihydro-2H-carbazole-4-carbaldehyde

C13H11NO — CID 174440689

IUPAC3,4-dihydro-2H-carbazole-4-carbaldehyde
SMILESO=CC1CCC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H11NO/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-2,5-9H,3-4H2
InChIKeyZDBVAEUVZIBIAY-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.96
Rot. Bonds1

About 3,4-dihydro-2H-carbazole-4-carbaldehyde

3,4-dihydro-2H-carbazole-4-carbaldehyde (PubChem CID 174440689) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-carbazole-4-carbaldehyde.

Molecular Properties

Compound Name3,4-dihydro-2H-carbazole-4-carbaldehyde
PubChem CID174440689
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3,4-dihydro-2H-carbazole-4-carbaldehyde
SMILESO=CC1CCC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H11NO/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-2,5-9H,3-4H2
InChIKeyZDBVAEUVZIBIAY-UHFFFAOYSA-N
XLogP0.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
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 3,4-dihydro-2H-carbazole-4-carbaldehyde?
The IUPAC name of 3,4-dihydro-2H-carbazole-4-carbaldehyde (CID 174440689) is 3,4-dihydro-2H-carbazole-4-carbaldehyde.
What is the SMILES notation for 3,4-dihydro-2H-carbazole-4-carbaldehyde?
The canonical SMILES for 3,4-dihydro-2H-carbazole-4-carbaldehyde is O=CC1CCC=C2N=c3ccccc3=C21.
What is the InChIKey of 3,4-dihydro-2H-carbazole-4-carbaldehyde?
The InChIKey is ZDBVAEUVZIBIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-8-9-4-3-7-12-13(9)10-5-1-2-6-11(10)14-12/h1-2,5-9H,3-4H2.
What are the key properties of 3,4-dihydro-2H-carbazole-4-carbaldehyde?
3,4-dihydro-2H-carbazole-4-carbaldehyde has a molecular weight of 197.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-carbazole-4-carbaldehyde is sourced from PubChem (CID 174440689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).