2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

C11H13ClN2 — CID 22917775

IUPAC2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESC1=CCC2=C3CNCCC3=NC2=C1.Cl
InChIInChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-2,4,12H,3,5-7H2;1H
InChIKeyKJTDPULRCCLLDV-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.00
Rot. Bonds

About 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 22917775) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID22917775
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESC1=CCC2=C3CNCCC3=NC2=C1.Cl
InChIInChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-2,4,12H,3,5-7H2;1H
InChIKeyKJTDPULRCCLLDV-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 22917775) is 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is C1=CCC2=C3CNCCC3=NC2=C1.Cl.
What is the InChIKey of 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is KJTDPULRCCLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-2,4,12H,3,5-7H2;1H.
What are the key properties of 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 22917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).