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

C13H16N2 — CID 674261

IUPAC2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C13H16N2/c1-14-8-7-13-11(9-14)10-5-3-4-6-12(10)15(13)2/h3-6H,7-9H2,1-2H3
InChIKeyJHIOFDRUJGJPFN-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.17
Rot. Bonds

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

2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 674261) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID674261
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C13H16N2/c1-14-8-7-13-11(9-14)10-5-3-4-6-12(10)15(13)2/h3-6H,7-9H2,1-2H3
InChIKeyJHIOFDRUJGJPFN-UHFFFAOYSA-N
XLogP2.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 674261) is 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3ccccc3n2C)C1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is JHIOFDRUJGJPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-14-8-7-13-11(9-14)10-5-3-4-6-12(10)15(13)2/h3-6H,7-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 200.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 674261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).