2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole

C11H14N2 — CID 18781921

IUPAC2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole
SMILESC1=Cc2[nH]c3c(c2CC1)CCNC3
InChIInChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h2,4,12-13H,1,3,5-7H2
InChIKeyFAZOBXNXUAQDKE-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.62
Rot. Bonds

About 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole

2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole (PubChem CID 18781921) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole
PubChem CID18781921
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole
SMILESC1=Cc2[nH]c3c(c2CC1)CCNC3
InChIInChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h2,4,12-13H,1,3,5-7H2
InChIKeyFAZOBXNXUAQDKE-UHFFFAOYSA-N
XLogP1.62
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole (CID 18781921) is 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole is C1=Cc2[nH]c3c(c2CC1)CCNC3.
What is the InChIKey of 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole?
The InChIKey is FAZOBXNXUAQDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h2,4,12-13H,1,3,5-7H2.
What are the key properties of 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole?
2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole has a molecular weight of 174.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 18781921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).