9-ethylpyrido[3,4-b]indole

C13H12N2 — CID 14221745

IUPAC9-ethylpyrido[3,4-b]indole
SMILESCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C13H12N2/c1-2-15-12-6-4-3-5-10(12)11-7-8-14-9-13(11)15/h3-9H,2H2,1H3
InChIKeyBMGUCVPPDGYFRV-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.21
Rot. Bonds1

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

9-ethylpyrido[3,4-b]indole (PubChem CID 14221745) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9-ethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-ethylpyrido[3,4-b]indole
PubChem CID14221745
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name9-ethylpyrido[3,4-b]indole
SMILESCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C13H12N2/c1-2-15-12-6-4-3-5-10(12)11-7-8-14-9-13(11)15/h3-9H,2H2,1H3
InChIKeyBMGUCVPPDGYFRV-UHFFFAOYSA-N
XLogP3.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-ethylpyrido[3,4-b]indole?
The IUPAC name of 9-ethylpyrido[3,4-b]indole (CID 14221745) is 9-ethylpyrido[3,4-b]indole.
What is the SMILES notation for 9-ethylpyrido[3,4-b]indole?
The canonical SMILES for 9-ethylpyrido[3,4-b]indole is CCn1c2ccccc2c2ccncc21.
What is the InChIKey of 9-ethylpyrido[3,4-b]indole?
The InChIKey is BMGUCVPPDGYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-15-12-6-4-3-5-10(12)11-7-8-14-9-13(11)15/h3-9H,2H2,1H3.
What are the key properties of 9-ethylpyrido[3,4-b]indole?
9-ethylpyrido[3,4-b]indole has a molecular weight of 196.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylpyrido[3,4-b]indole is sourced from PubChem (CID 14221745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).