9-(4-azidobutyl)carbazole-3-carbaldehyde

C17H16N4O — CID 171905939

IUPAC9-(4-azidobutyl)carbazole-3-carbaldehyde
SMILES[N-]=[N+]=NCCCCn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C17H16N4O/c18-20-19-9-3-4-10-21-16-6-2-1-5-14(16)15-11-13(12-22)7-8-17(15)21/h1-2,5-8,11-12H,3-4,9-10H2
InChIKeyNQAZTPXELVVHNC-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.70
Rot. Bonds6

About 9-(4-azidobutyl)carbazole-3-carbaldehyde

9-(4-azidobutyl)carbazole-3-carbaldehyde (PubChem CID 171905939) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-(4-azidobutyl)carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-(4-azidobutyl)carbazole-3-carbaldehyde
PubChem CID171905939
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name9-(4-azidobutyl)carbazole-3-carbaldehyde
SMILES[N-]=[N+]=NCCCCn1c2ccccc2c2cc(C=O)ccc21
InChIInChI=1S/C17H16N4O/c18-20-19-9-3-4-10-21-16-6-2-1-5-14(16)15-11-13(12-22)7-8-17(15)21/h1-2,5-8,11-12H,3-4,9-10H2
InChIKeyNQAZTPXELVVHNC-UHFFFAOYSA-N
XLogP4.70
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124
Carbazole-3-carboxaldehyde
CID 504067
1-(4-methylbenzyl)-1H-indole-3-carbaldehyde
CID 775565
1-benzyl-1H-indole-3-carbaldehyde
CID 262104
1-[(3-Fluorophenyl)methyl]-1H-indole-3-carboxaldehyde
CID 716281
1-methyl-1H-indole-5-carbaldehyde
CID 7537534
9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
EG-018
CID 118796466
Jwh-205
CID 44397436
9H-Carbazol-9-ylphenylmethanone
CID 95052
9-Methyl-9H-carbazole-3-carbaldehyde
CID 610666

Frequently Asked Questions

What is the IUPAC name of 9-(4-azidobutyl)carbazole-3-carbaldehyde?
The IUPAC name of 9-(4-azidobutyl)carbazole-3-carbaldehyde (CID 171905939) is 9-(4-azidobutyl)carbazole-3-carbaldehyde.
What is the SMILES notation for 9-(4-azidobutyl)carbazole-3-carbaldehyde?
The canonical SMILES for 9-(4-azidobutyl)carbazole-3-carbaldehyde is [N-]=[N+]=NCCCCn1c2ccccc2c2cc(C=O)ccc21.
What is the InChIKey of 9-(4-azidobutyl)carbazole-3-carbaldehyde?
The InChIKey is NQAZTPXELVVHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-20-19-9-3-4-10-21-16-6-2-1-5-14(16)15-11-13(12-22)7-8-17(15)21/h1-2,5-8,11-12H,3-4,9-10H2.
What are the key properties of 9-(4-azidobutyl)carbazole-3-carbaldehyde?
9-(4-azidobutyl)carbazole-3-carbaldehyde has a molecular weight of 292.34 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-azidobutyl)carbazole-3-carbaldehyde is sourced from PubChem (CID 171905939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).