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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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).