9-ethylpyrido[3,4-b]indole-3-carbaldehyde

C14H12N2O — CID 58443257

IUPAC9-ethylpyrido[3,4-b]indole-3-carbaldehyde
SMILESCCn1c2ccccc2c2cc(C=O)ncc21
InChIInChI=1S/C14H12N2O/c1-2-16-13-6-4-3-5-11(13)12-7-10(9-17)15-8-14(12)16/h3-9H,2H2,1H3
InChIKeyZBPIZGCDHWOEDB-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.02
Rot. Bonds2

About 9-ethylpyrido[3,4-b]indole-3-carbaldehyde

9-ethylpyrido[3,4-b]indole-3-carbaldehyde (PubChem CID 58443257) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 9-ethylpyrido[3,4-b]indole-3-carbaldehyde.

Molecular Properties

Compound Name9-ethylpyrido[3,4-b]indole-3-carbaldehyde
PubChem CID58443257
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name9-ethylpyrido[3,4-b]indole-3-carbaldehyde
SMILESCCn1c2ccccc2c2cc(C=O)ncc21
InChIInChI=1S/C14H12N2O/c1-2-16-13-6-4-3-5-11(13)12-7-10(9-17)15-8-14(12)16/h3-9H,2H2,1H3
InChIKeyZBPIZGCDHWOEDB-UHFFFAOYSA-N
XLogP3.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
5-ethylbenzo[b]carbazole-6-carbaldehyde
CID 14770234
9-ethylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373637
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
(1R)-N-[(9-ethylpyrido[3,4-b]indol-3-yl)methyl]-1-phenylethanamine
CID 45378001
9-ethyl-2-methylcarbazole
CID 19788789
1-ethyl-3-fluoroindole-2-carbaldehyde
CID 89272565
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
9-ethylcarbazole-3-carboxylic acid
CID 4912869
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
9-ethyl-3-tritylcarbazole
CID 91743871

Frequently Asked Questions

What is the IUPAC name of 9-ethylpyrido[3,4-b]indole-3-carbaldehyde?
The IUPAC name of 9-ethylpyrido[3,4-b]indole-3-carbaldehyde (CID 58443257) is 9-ethylpyrido[3,4-b]indole-3-carbaldehyde.
What is the SMILES notation for 9-ethylpyrido[3,4-b]indole-3-carbaldehyde?
The canonical SMILES for 9-ethylpyrido[3,4-b]indole-3-carbaldehyde is CCn1c2ccccc2c2cc(C=O)ncc21.
What is the InChIKey of 9-ethylpyrido[3,4-b]indole-3-carbaldehyde?
The InChIKey is ZBPIZGCDHWOEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-16-13-6-4-3-5-11(13)12-7-10(9-17)15-8-14(12)16/h3-9H,2H2,1H3.
What are the key properties of 9-ethylpyrido[3,4-b]indole-3-carbaldehyde?
9-ethylpyrido[3,4-b]indole-3-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylpyrido[3,4-b]indole-3-carbaldehyde is sourced from PubChem (CID 58443257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).