5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C13H14N2 — CID 68728829

IUPAC5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESC=Cn1c2c(c3ccccc31)CNCC2
InChIInChI=1S/C13H14N2/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h2-6,14H,1,7-9H2
InChIKeyKGWTUPZUHIAZPI-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.39
Rot. Bonds1

About 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 68728829) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID68728829
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESC=Cn1c2c(c3ccccc31)CNCC2
InChIInChI=1S/C13H14N2/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h2-6,14H,1,7-9H2
InChIKeyKGWTUPZUHIAZPI-UHFFFAOYSA-N
XLogP2.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 68728829) is 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is C=Cn1c2c(c3ccccc31)CNCC2.
What is the InChIKey of 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is KGWTUPZUHIAZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-15-12-6-4-3-5-10(12)11-9-14-8-7-13(11)15/h2-6,14H,1,7-9H2.
What are the key properties of 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 198.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 68728829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).