1-ethenyl-9-ethylpyrido[3,4-b]indole

C15H14N2 — CID 169091277

IUPAC1-ethenyl-9-ethylpyrido[3,4-b]indole
SMILESC=Cc1nccc2c3ccccc3n(CC)c12
InChIInChI=1S/C15H14N2/c1-3-13-15-12(9-10-16-13)11-7-5-6-8-14(11)17(15)4-2/h3,5-10H,1,4H2,2H3
InChIKeySOVOKIVMCHLQHB-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.85
Rot. Bonds2

About 1-ethenyl-9-ethylpyrido[3,4-b]indole

1-ethenyl-9-ethylpyrido[3,4-b]indole (PubChem CID 169091277) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethenyl-9-ethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name1-ethenyl-9-ethylpyrido[3,4-b]indole
PubChem CID169091277
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name1-ethenyl-9-ethylpyrido[3,4-b]indole
SMILESC=Cc1nccc2c3ccccc3n(CC)c12
InChIInChI=1S/C15H14N2/c1-3-13-15-12(9-10-16-13)11-7-5-6-8-14(11)17(15)4-2/h3,5-10H,1,4H2,2H3
InChIKeySOVOKIVMCHLQHB-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-9-ethylpyrido[3,4-b]indole?
The IUPAC name of 1-ethenyl-9-ethylpyrido[3,4-b]indole (CID 169091277) is 1-ethenyl-9-ethylpyrido[3,4-b]indole.
What is the SMILES notation for 1-ethenyl-9-ethylpyrido[3,4-b]indole?
The canonical SMILES for 1-ethenyl-9-ethylpyrido[3,4-b]indole is C=Cc1nccc2c3ccccc3n(CC)c12.
What is the InChIKey of 1-ethenyl-9-ethylpyrido[3,4-b]indole?
The InChIKey is SOVOKIVMCHLQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-3-13-15-12(9-10-16-13)11-7-5-6-8-14(11)17(15)4-2/h3,5-10H,1,4H2,2H3.
What are the key properties of 1-ethenyl-9-ethylpyrido[3,4-b]indole?
1-ethenyl-9-ethylpyrido[3,4-b]indole has a molecular weight of 222.29 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-9-ethylpyrido[3,4-b]indole is sourced from PubChem (CID 169091277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).