1-ethyl-9H-pyrido[3,4-b]indole

C13H12N2 — CID 5324325

IUPAC1-ethyl-9H-pyrido[3,4-b]indole
SMILESCCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3
InChIKeyYTQRHYCHEIXUIU-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.28
Rot. Bonds1

About 1-ethyl-9H-pyrido[3,4-b]indole

1-ethyl-9H-pyrido[3,4-b]indole (PubChem CID 5324325) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-ethyl-9H-pyrido[3,4-b]indole
PubChem CID5324325
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-ethyl-9H-pyrido[3,4-b]indole
SMILESCCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3
InChIKeyYTQRHYCHEIXUIU-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-ethyl-9H-pyrido[3,4-b]indole (CID 5324325) is 1-ethyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-ethyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-ethyl-9H-pyrido[3,4-b]indole is CCc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-ethyl-9H-pyrido[3,4-b]indole?
The InChIKey is YTQRHYCHEIXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3.
What are the key properties of 1-ethyl-9H-pyrido[3,4-b]indole?
1-ethyl-9H-pyrido[3,4-b]indole has a molecular weight of 196.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 5324325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).