1-methyl-4H-carbazole-4-carbaldehyde

C14H11NO — CID 174255713

IUPAC1-methyl-4H-carbazole-4-carbaldehyde
SMILESCC1=C2N=c3ccccc3=C2C(C=O)C=C1
InChIInChI=1S/C14H11NO/c1-9-6-7-10(8-16)13-11-4-2-3-5-12(11)15-14(9)13/h2-8,10H,1H3
InChIKeyWPFXUOKLEAJHAL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.13
Rot. Bonds1

About 1-methyl-4H-carbazole-4-carbaldehyde

1-methyl-4H-carbazole-4-carbaldehyde (PubChem CID 174255713) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-4H-carbazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4H-carbazole-4-carbaldehyde
PubChem CID174255713
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name1-methyl-4H-carbazole-4-carbaldehyde
SMILESCC1=C2N=c3ccccc3=C2C(C=O)C=C1
InChIInChI=1S/C14H11NO/c1-9-6-7-10(8-16)13-11-4-2-3-5-12(11)15-14(9)13/h2-8,10H,1H3
InChIKeyWPFXUOKLEAJHAL-UHFFFAOYSA-N
XLogP1.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.13
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 1-methyl-4H-carbazole-4-carbaldehyde?
The IUPAC name of 1-methyl-4H-carbazole-4-carbaldehyde (CID 174255713) is 1-methyl-4H-carbazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-4H-carbazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-4H-carbazole-4-carbaldehyde is CC1=C2N=c3ccccc3=C2C(C=O)C=C1.
What is the InChIKey of 1-methyl-4H-carbazole-4-carbaldehyde?
The InChIKey is WPFXUOKLEAJHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-9-6-7-10(8-16)13-11-4-2-3-5-12(11)15-14(9)13/h2-8,10H,1H3.
What are the key properties of 1-methyl-4H-carbazole-4-carbaldehyde?
1-methyl-4H-carbazole-4-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-carbazole-4-carbaldehyde is sourced from PubChem (CID 174255713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).