3-butyl-9H-pyrido[3,4-b]indole

C15H16N2 — CID 6198019

IUPAC3-butyl-9H-pyrido[3,4-b]indole
SMILESCCCCc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3
InChIKeyJRGOZUPASNAZDD-UHFFFAOYSA-N
MW224.31 g/mol
LogP4.06
Rot. Bonds3

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

3-butyl-9H-pyrido[3,4-b]indole (PubChem CID 6198019) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-butyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-butyl-9H-pyrido[3,4-b]indole
PubChem CID6198019
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-butyl-9H-pyrido[3,4-b]indole
SMILESCCCCc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3
InChIKeyJRGOZUPASNAZDD-UHFFFAOYSA-N
XLogP4.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-butyl-9H-pyrido[3,4-b]indole (CID 6198019) is 3-butyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-butyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-butyl-9H-pyrido[3,4-b]indole is CCCCc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of 3-butyl-9H-pyrido[3,4-b]indole?
The InChIKey is JRGOZUPASNAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3.
What are the key properties of 3-butyl-9H-pyrido[3,4-b]indole?
3-butyl-9H-pyrido[3,4-b]indole has a molecular weight of 224.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 6198019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).