1,6-dimethoxy-9H-carbazole-3-carbaldehyde

C15H13NO3 — CID 14804150

IUPAC1,6-dimethoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1ccc2[nH]c3c(OC)cc(C=O)cc3c2c1
InChIInChI=1S/C15H13NO3/c1-18-10-3-4-13-11(7-10)12-5-9(8-17)6-14(19-2)15(12)16-13/h3-8,16H,1-2H3
InChIKeyYUERFEQINUDZDT-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.15
Rot. Bonds3

About 1,6-dimethoxy-9H-carbazole-3-carbaldehyde

1,6-dimethoxy-9H-carbazole-3-carbaldehyde (PubChem CID 14804150) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1,6-dimethoxy-9H-carbazole-3-carbaldehyde.

Molecular Properties

Compound Name1,6-dimethoxy-9H-carbazole-3-carbaldehyde
PubChem CID14804150
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1,6-dimethoxy-9H-carbazole-3-carbaldehyde
SMILESCOc1ccc2[nH]c3c(OC)cc(C=O)cc3c2c1
InChIInChI=1S/C15H13NO3/c1-18-10-3-4-13-11(7-10)12-5-9(8-17)6-14(19-2)15(12)16-13/h3-8,16H,1-2H3
InChIKeyYUERFEQINUDZDT-UHFFFAOYSA-N
XLogP3.15
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-9H-carbazole-3-carbaldehyde?
The IUPAC name of 1,6-dimethoxy-9H-carbazole-3-carbaldehyde (CID 14804150) is 1,6-dimethoxy-9H-carbazole-3-carbaldehyde.
What is the SMILES notation for 1,6-dimethoxy-9H-carbazole-3-carbaldehyde?
The canonical SMILES for 1,6-dimethoxy-9H-carbazole-3-carbaldehyde is COc1ccc2[nH]c3c(OC)cc(C=O)cc3c2c1.
What is the InChIKey of 1,6-dimethoxy-9H-carbazole-3-carbaldehyde?
The InChIKey is YUERFEQINUDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-10-3-4-13-11(7-10)12-5-9(8-17)6-14(19-2)15(12)16-13/h3-8,16H,1-2H3.
What are the key properties of 1,6-dimethoxy-9H-carbazole-3-carbaldehyde?
1,6-dimethoxy-9H-carbazole-3-carbaldehyde has a molecular weight of 255.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-9H-carbazole-3-carbaldehyde is sourced from PubChem (CID 14804150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).