2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C11H12N2 — CID 723230

IUPAC2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESc1ccc2c3c([nH]c2c1)CCNC3
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2
InChIKeyRPROHCOBMVQVIV-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.81
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 723230) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID723230
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESc1ccc2c3c([nH]c2c1)CCNC3
InChIInChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2
InChIKeyRPROHCOBMVQVIV-UHFFFAOYSA-N
XLogP1.81
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 723230) is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is c1ccc2c3c([nH]c2c1)CCNC3.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is RPROHCOBMVQVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 172.23 g/mol, XLogP of 1.81, 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-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 723230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).