1-propyl-9H-pyrido[3,4-b]indole

C14H14N2 — CID 15381905

IUPAC1-propyl-9H-pyrido[3,4-b]indole
SMILESCCCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-9,16H,2,5H2,1H3
InChIKeyFBSJCDZVFXGGBM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.67
Rot. Bonds2

About 1-propyl-9H-pyrido[3,4-b]indole

1-propyl-9H-pyrido[3,4-b]indole (PubChem CID 15381905) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-propyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-propyl-9H-pyrido[3,4-b]indole
PubChem CID15381905
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-propyl-9H-pyrido[3,4-b]indole
SMILESCCCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H14N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-9,16H,2,5H2,1H3
InChIKeyFBSJCDZVFXGGBM-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-propyl-9H-pyrido[3,4-b]indole (CID 15381905) is 1-propyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-propyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-propyl-9H-pyrido[3,4-b]indole is CCCc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-propyl-9H-pyrido[3,4-b]indole?
The InChIKey is FBSJCDZVFXGGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-9,16H,2,5H2,1H3.
What are the key properties of 1-propyl-9H-pyrido[3,4-b]indole?
1-propyl-9H-pyrido[3,4-b]indole has a molecular weight of 210.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 15381905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).