9-ethylcarbazole-3,6-dicarbaldehyde

C16H13NO2 — CID 3716675

IUPAC9-ethylcarbazole-3,6-dicarbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C16H13NO2/c1-2-17-15-5-3-11(9-18)7-13(15)14-8-12(10-19)4-6-16(14)17/h3-10H,2H2,1H3
InChIKeyYUYGLHDPWGWFQB-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.44
Rot. Bonds3

About 9-ethylcarbazole-3,6-dicarbaldehyde

9-ethylcarbazole-3,6-dicarbaldehyde (PubChem CID 3716675) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 9-ethylcarbazole-3,6-dicarbaldehyde.

Molecular Properties

Compound Name9-ethylcarbazole-3,6-dicarbaldehyde
PubChem CID3716675
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name9-ethylcarbazole-3,6-dicarbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C16H13NO2/c1-2-17-15-5-3-11(9-18)7-13(15)14-8-12(10-19)4-6-16(14)17/h3-10H,2H2,1H3
InChIKeyYUYGLHDPWGWFQB-UHFFFAOYSA-N
XLogP3.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-ethylcarbazole-3,6-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethylcarbazole-3,6-dicarbaldehyde?
The IUPAC name of 9-ethylcarbazole-3,6-dicarbaldehyde (CID 3716675) is 9-ethylcarbazole-3,6-dicarbaldehyde.
What is the SMILES notation for 9-ethylcarbazole-3,6-dicarbaldehyde?
The canonical SMILES for 9-ethylcarbazole-3,6-dicarbaldehyde is CCn1c2ccc(C=O)cc2c2cc(C=O)ccc21.
What is the InChIKey of 9-ethylcarbazole-3,6-dicarbaldehyde?
The InChIKey is YUYGLHDPWGWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-2-17-15-5-3-11(9-18)7-13(15)14-8-12(10-19)4-6-16(14)17/h3-10H,2H2,1H3.
What are the key properties of 9-ethylcarbazole-3,6-dicarbaldehyde?
9-ethylcarbazole-3,6-dicarbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylcarbazole-3,6-dicarbaldehyde is sourced from PubChem (CID 3716675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).