3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

C13H16N2 — CID 70962974

IUPAC3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
SMILESCCc1cnc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H16N2/c1-2-9-7-11-10-5-3-4-6-12(10)15-13(11)14-8-9/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyCGKFHKKAGIDLQI-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.00
Rot. Bonds1

About 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole

3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole (PubChem CID 70962974) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
PubChem CID70962974
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole
SMILESCCc1cnc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H16N2/c1-2-9-7-11-10-5-3-4-6-12(10)15-13(11)14-8-9/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyCGKFHKKAGIDLQI-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
The IUPAC name of 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole (CID 70962974) is 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
The canonical SMILES for 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole is CCc1cnc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
The InChIKey is CGKFHKKAGIDLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-9-7-11-10-5-3-4-6-12(10)15-13(11)14-8-9/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole?
3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole has a molecular weight of 200.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indole is sourced from PubChem (CID 70962974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).