2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole

C13H16N2 — CID 69207768

IUPAC2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
SMILESCCN1CCC2N=c3ccccc3=C2C1
InChIInChI=1S/C13H16N2/c1-2-15-8-7-13-11(9-15)10-5-3-4-6-12(10)14-13/h3-6,13H,2,7-9H2,1H3
InChIKeyNTUKWZYCQHDILL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.56
Rot. Bonds1

About 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole

2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole (PubChem CID 69207768) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
PubChem CID69207768
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
SMILESCCN1CCC2N=c3ccccc3=C2C1
InChIInChI=1S/C13H16N2/c1-2-15-8-7-13-11(9-15)10-5-3-4-6-12(10)14-13/h3-6,13H,2,7-9H2,1H3
InChIKeyNTUKWZYCQHDILL-UHFFFAOYSA-N
XLogP0.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole (CID 69207768) is 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole is CCN1CCC2N=c3ccccc3=C2C1.
What is the InChIKey of 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The InChIKey is NTUKWZYCQHDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-15-8-7-13-11(9-15)10-5-3-4-6-12(10)14-13/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole has a molecular weight of 200.28 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 69207768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).